diff --git a/CMakeLists.txt b/CMakeLists.txt index 7914ecc00a..d4e265adbe 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -167,7 +167,7 @@ set(ABACUS_SOURCE_DIR ${CMAKE_CURRENT_SOURCE_DIR}/source) set(ABACUS_TEST_DIR ${CMAKE_CURRENT_SOURCE_DIR}/tests) set(ABACUS_BIN_PATH ${CMAKE_CURRENT_BINARY_DIR}/${ABACUS_BIN_NAME}) include_directories(${ABACUS_SOURCE_DIR}) -include_directories(${ABACUS_SOURCE_DIR}/module_base/module_container) +include_directories(${ABACUS_SOURCE_DIR}/source_base/module_container) set(CMAKE_CXX_STANDARD 11) set(CMAKE_CXX_STANDARD_REQUIRED ON) diff --git a/docs/CONTRIBUTING.md b/docs/CONTRIBUTING.md index 916b0516bd..6b8acf305e 100644 --- a/docs/CONTRIBUTING.md +++ b/docs/CONTRIBUTING.md @@ -39,7 +39,7 @@ The source code of ABACUS is based on several modules. Under the ABACUS root dir For those who are interested in the source code, the following figure shows the structure of the source code. ```text -|-- module_base A basic module including +|-- source_base A basic module including | | (1) Mathematical library interface functions: BLAS, LAPACK, Scalapack; | | (2) Custom data classes: matrix, vector definitions and related functions; | | (3) Parallelization functions: MPI, OpenMP; @@ -183,7 +183,7 @@ pre-commit install ## Adding a unit test -We use [GoogleTest](https://github.com/google/googletest) as our test framework. Write your test under the corresponding module folder at `abacus-develop/tests`, then append the test to `tests/CMakeLists.txt`. If there are currently no unit tests provided for the module, do as follows. `module_base` provides a simple demonstration. +We use [GoogleTest](https://github.com/google/googletest) as our test framework. Write your test under the corresponding module folder at `abacus-develop/tests`, then append the test to `tests/CMakeLists.txt`. If there are currently no unit tests provided for the module, do as follows. `source_base` provides a simple demonstration. - Add a folder named `test` under the module. - Append the content below to `CMakeLists.txt` of the module: diff --git a/python/pyabacus/CMakeLists.txt b/python/pyabacus/CMakeLists.txt index 0de042e2db..cfe4df5e7e 100644 --- a/python/pyabacus/CMakeLists.txt +++ b/python/pyabacus/CMakeLists.txt @@ -12,7 +12,7 @@ find_package(pybind11 CONFIG REQUIRED) # set source path set(ABACUS_SOURCE_DIR "${PROJECT_SOURCE_DIR}/../../source") -set(BASE_PATH "${ABACUS_SOURCE_DIR}/module_base") +set(BASE_PATH "${ABACUS_SOURCE_DIR}/source_base") set(NAO_PATH "${ABACUS_SOURCE_DIR}/module_basis/module_nao") set(HSOLVER_PATH "${ABACUS_SOURCE_DIR}/source_hsolver") set(PSI_PATH "${ABACUS_SOURCE_DIR}/module_psi") @@ -69,14 +69,14 @@ endif() include_directories( ${BASE_PATH} ${ABACUS_SOURCE_DIR} - ${ABACUS_SOURCE_DIR}/module_base/module_container + ${ABACUS_SOURCE_DIR}/source_base/module_container ) # add basic libraries set(CMAKE_POSITION_INDEPENDENT_CODE ON) # add base set(BASE_BINARY_DIR "${PROJECT_SOURCE_DIR}/build/base") -add_subdirectory(${ABACUS_SOURCE_DIR}/module_base ${BASE_BINARY_DIR}) +add_subdirectory(${ABACUS_SOURCE_DIR}/source_base ${BASE_BINARY_DIR}) # add parameter set(PARAMETER_BINARY_DIR "${PROJECT_SOURCE_DIR}/build/parameter") add_subdirectory(${ABACUS_SOURCE_DIR}/module_parameter ${PARAMETER_BINARY_DIR}) diff --git a/python/pyabacus/CONTRIBUTING.md b/python/pyabacus/CONTRIBUTING.md index 202e7385ac..2806c59cd4 100644 --- a/python/pyabacus/CONTRIBUTING.md +++ b/python/pyabacus/CONTRIBUTING.md @@ -72,7 +72,7 @@ find_package(pybind11 CONFIG REQUIRED) ```cmake # Set source path set(ABACUS_SOURCE_DIR "${PROJECT_SOURCE_DIR}/../../source") -set(BASE_PATH "${ABACUS_SOURCE_DIR}/module_base") +set(BASE_PATH "${ABACUS_SOURCE_DIR}/source_base") set(NAO_PATH "${ABACUS_SOURCE_DIR}/module_basis/module_nao") set(HSOLVER_PATH "${ABACUS_SOURCE_DIR}/source_hsolver") set(PSI_PATH "${ABACUS_SOURCE_DIR}/module_psi") @@ -131,7 +131,7 @@ endif() include_directories( ${BASE_PATH} ${ABACUS_SOURCE_DIR} - ${ABACUS_SOURCE_DIR}/module_base/module_container + ${ABACUS_SOURCE_DIR}/source_base/module_container ) ``` - This section adds the necessary include directories for the project. @@ -141,7 +141,7 @@ include_directories( set(CMAKE_POSITION_INDEPENDENT_CODE ON) # Add base set(BASE_BINARY_DIR "${PROJECT_SOURCE_DIR}/build/base") -add_subdirectory(${ABACUS_SOURCE_DIR}/module_base ${BASE_BINARY_DIR}) +add_subdirectory(${ABACUS_SOURCE_DIR}/source_base ${BASE_BINARY_DIR}) # Add parameter set(PARAMETER_BINARY_DIR "${PROJECT_SOURCE_DIR}/build/parameter") add_subdirectory(${ABACUS_SOURCE_DIR}/module_parameter ${PARAMETER_BINARY_DIR}) diff --git a/python/pyabacus/examples/indexmap.py b/python/pyabacus/examples/indexmap.py index f9917919d8..9cfc798d58 100644 --- a/python/pyabacus/examples/indexmap.py +++ b/python/pyabacus/examples/indexmap.py @@ -60,7 +60,7 @@ def _index_map(ntype, natom, lmax, nzeta=None): 0, 1, -1, 2, -2, 3, -3, ..., l, -l - (see module_base/ylm.cpp and module_base/math_ylmreal.cpp + (see source_base/ylm.cpp and source_base/math_ylmreal.cpp for details) ''' diff --git a/python/pyabacus/src/ModuleBase/CMakeLists.txt b/python/pyabacus/src/ModuleBase/CMakeLists.txt index e89a065147..20db3c80d9 100644 --- a/python/pyabacus/src/ModuleBase/CMakeLists.txt +++ b/python/pyabacus/src/ModuleBase/CMakeLists.txt @@ -1,4 +1,4 @@ -list(APPEND pymodule_base +list(APPEND pysource_base ${PROJECT_SOURCE_DIR}/src/ModuleBase/py_base_math.cpp ${BASE_PATH}/kernels/math_ylm_op.cpp ${BASE_PATH}/kernels/math_kernel_op.cpp @@ -7,7 +7,7 @@ list(APPEND pymodule_base ${BASE_PATH}/module_device/device.cpp ) -pybind11_add_module(_base_pack MODULE ${pymodule_base}) +pybind11_add_module(_base_pack MODULE ${pysource_base}) target_link_libraries(_base_pack PRIVATE diff --git a/python/pyabacus/src/ModuleBase/py_base_math.cpp b/python/pyabacus/src/ModuleBase/py_base_math.cpp index b9803c81cd..3b2c54ef63 100644 --- a/python/pyabacus/src/ModuleBase/py_base_math.cpp +++ b/python/pyabacus/src/ModuleBase/py_base_math.cpp @@ -1,9 +1,9 @@ #include #include -#include "module_base/math_sphbes.h" -#include "module_base/math_integral.h" -#include "module_base/spherical_bessel_transformer.h" +#include "source_base/math_sphbes.h" +#include "source_base/math_integral.h" +#include "source_base/spherical_bessel_transformer.h" namespace py = pybind11; using namespace pybind11::literals; diff --git a/python/pyabacus/src/ModuleNAO/CMakeLists.txt b/python/pyabacus/src/ModuleNAO/CMakeLists.txt index b9b7fe9935..d09448e454 100644 --- a/python/pyabacus/src/ModuleNAO/CMakeLists.txt +++ b/python/pyabacus/src/ModuleNAO/CMakeLists.txt @@ -13,12 +13,12 @@ list(APPEND _naos ${NAO_PATH}/two_center_integrator.cpp ${NAO_PATH}/two_center_table.cpp # dependency - ${ABACUS_SOURCE_DIR}/module_base/kernels/math_ylm_op.cpp - ${ABACUS_SOURCE_DIR}/module_base/kernels/math_kernel_op.cpp - ${ABACUS_SOURCE_DIR}/module_base/kernels/math_kernel_op_vec.cpp + ${ABACUS_SOURCE_DIR}/source_base/kernels/math_ylm_op.cpp + ${ABACUS_SOURCE_DIR}/source_base/kernels/math_kernel_op.cpp + ${ABACUS_SOURCE_DIR}/source_base/kernels/math_kernel_op_vec.cpp # ${ABACUS_SOURCE_DIR}/module_psi/kernels/psi_memory_op.cpp - ${ABACUS_SOURCE_DIR}/module_base/module_device/memory_op.cpp - ${ABACUS_SOURCE_DIR}/module_base/module_device/device.cpp + ${ABACUS_SOURCE_DIR}/source_base/module_device/memory_op.cpp + ${ABACUS_SOURCE_DIR}/source_base/module_device/device.cpp ) add_library(naopack SHARED ${_naos} diff --git a/python/pyabacus/src/ModuleNAO/py_m_nao.cpp b/python/pyabacus/src/ModuleNAO/py_m_nao.cpp index 92c5084d44..b832a42da6 100644 --- a/python/pyabacus/src/ModuleNAO/py_m_nao.cpp +++ b/python/pyabacus/src/ModuleNAO/py_m_nao.cpp @@ -2,7 +2,7 @@ #include #include -#include "module_base/vector3.h" +#include "source_base/vector3.h" #include "module_basis/module_nao/radial_collection.h" #include "module_basis/module_nao/two_center_integrator.h" diff --git a/python/pyabacus/src/hsolver/py_diago_cg.hpp b/python/pyabacus/src/hsolver/py_diago_cg.hpp index 95742ab62c..63a6cccc82 100644 --- a/python/pyabacus/src/hsolver/py_diago_cg.hpp +++ b/python/pyabacus/src/hsolver/py_diago_cg.hpp @@ -15,7 +15,7 @@ #include #include "source_hsolver/diago_cg.h" -#include "module_base/module_device/memory_op.h" +#include "source_base/module_device/memory_op.h" namespace py = pybind11; diff --git a/python/pyabacus/src/hsolver/py_hsolver.cpp b/python/pyabacus/src/hsolver/py_hsolver.cpp index 0ff9527357..c37ea43b4b 100644 --- a/python/pyabacus/src/hsolver/py_hsolver.cpp +++ b/python/pyabacus/src/hsolver/py_hsolver.cpp @@ -6,8 +6,8 @@ #include #include "source_hsolver/diago_dav_subspace.h" -#include "module_base/kernels/math_kernel_op.h" -#include "module_base/module_device/types.h" +#include "source_base/kernels/math_kernel_op.h" +#include "source_base/module_device/types.h" #include "./py_diago_dav_subspace.hpp" #include "./py_diago_david.hpp" diff --git a/source/CMakeLists.txt b/source/CMakeLists.txt index 062e93bbe9..57289f0b1e 100644 --- a/source/CMakeLists.txt +++ b/source/CMakeLists.txt @@ -1,4 +1,4 @@ -add_subdirectory(module_base) +add_subdirectory(source_base) add_subdirectory(module_cell) add_subdirectory(module_psi) add_subdirectory(module_elecstate) @@ -42,17 +42,17 @@ list(APPEND device_srcs # module_psi/kernels/psi_memory_op.cpp # module_psi/kernels/device.cpp - module_base/module_device/device.cpp - module_base/module_device/memory_op.cpp - module_base/kernels/math_kernel_op.cpp - module_base/kernels/math_kernel_op_vec.cpp + source_base/module_device/device.cpp + source_base/module_device/memory_op.cpp + source_base/kernels/math_kernel_op.cpp + source_base/kernels/math_kernel_op_vec.cpp module_hamilt_pw/hamilt_pwdft/kernels/force_op.cpp module_hamilt_pw/hamilt_pwdft/kernels/stress_op.cpp module_hamilt_pw/hamilt_pwdft/kernels/onsite_op.cpp module_hamilt_pw/hamilt_pwdft/kernels/wf_op.cpp module_hamilt_pw/hamilt_pwdft/kernels/vnl_op.cpp - module_base/kernels/math_ylm_op.cpp + source_base/kernels/math_ylm_op.cpp module_hamilt_general/module_xc/kernels/xc_functional_op.cpp ) @@ -70,15 +70,15 @@ if(USE_CUDA) module_elecstate/kernels/cuda/elecstate_op.cu # module_psi/kernels/cuda/memory_op.cu - module_base/module_device/cuda/memory_op.cu + source_base/module_device/cuda/memory_op.cu module_hamilt_pw/hamilt_pwdft/kernels/cuda/force_op.cu module_hamilt_pw/hamilt_pwdft/kernels/cuda/stress_op.cu module_hamilt_pw/hamilt_pwdft/kernels/cuda/wf_op.cu module_hamilt_pw/hamilt_pwdft/kernels/cuda/vnl_op.cu - module_base/kernels/cuda/math_ylm_op.cu - module_base/kernels/cuda/math_kernel_op.cu - module_base/kernels/cuda/math_kernel_op_vec.cu + source_base/kernels/cuda/math_ylm_op.cu + source_base/kernels/cuda/math_kernel_op.cu + source_base/kernels/cuda/math_kernel_op_vec.cu module_hamilt_general/module_xc/kernels/cuda/xc_functional_op.cu ) endif() @@ -97,22 +97,22 @@ if(USE_ROCM) module_elecstate/kernels/rocm/elecstate_op.hip.cu # module_psi/kernels/rocm/memory_op.hip.cu - module_base/module_device/rocm/memory_op.hip.cu + source_base/module_device/rocm/memory_op.hip.cu module_hamilt_pw/hamilt_pwdft/kernels/rocm/force_op.hip.cu module_hamilt_pw/hamilt_pwdft/kernels/rocm/stress_op.hip.cu module_hamilt_pw/hamilt_pwdft/kernels/rocm/wf_op.hip.cu module_hamilt_pw/hamilt_pwdft/kernels/rocm/vnl_op.hip.cu - module_base/kernels/rocm/math_kernel_op.hip.cu - module_base/kernels/rocm/math_kernel_op_vec.hip.cu - module_base/kernels/rocm/math_ylm_op.hip.cu + source_base/kernels/rocm/math_kernel_op.hip.cu + source_base/kernels/rocm/math_kernel_op_vec.hip.cu + source_base/kernels/rocm/math_ylm_op.hip.cu module_hamilt_general/module_xc/kernels/rocm/xc_functional_op.hip.cu ) endif() if(USE_DSP) list(APPEND device_srcs - module_base/kernels/dsp/dsp_connector.cpp + source_base/kernels/dsp/dsp_connector.cpp ) endif() diff --git a/source/Makefile b/source/Makefile index 5b9c60dcb2..b3860097f4 100644 --- a/source/Makefile +++ b/source/Makefile @@ -4,7 +4,7 @@ include Makefile.vars # Compiler information #========================== -INCLUDES = -I. -Isource_main -Isource_main/commands -Icommands -I../ -Imodule_base/module_container +INCLUDES = -I. -Isource_main -Isource_main/commands -Icommands -I../ -Isource_base/module_container LIBS = -lm -lpthread OPTS = -std=c++14 -pedantic -m64 ${INCLUDES} diff --git a/source/Makefile.Objects b/source/Makefile.Objects index 41bea656b7..dd4c89068d 100644 --- a/source/Makefile.Objects +++ b/source/Makefile.Objects @@ -18,14 +18,14 @@ VPATH=./src_global:\ ./module_cell/module_neighbor:\ ./module_cell/module_symmetry:\ ./module_cell:\ -./module_base:\ -./module_base/kernels:\ -./module_base/module_container/base/core:\ -./module_base/module_container/ATen/core:\ -./module_base/module_container/ATen/kernels:\ -./module_base/module_container/ATen/ops:\ -./module_base/module_device:\ -./module_base/module_mixing:\ +./source_base:\ +./source_base/kernels:\ +./source_base/module_container/base/core:\ +./source_base/module_container/ATen/core:\ +./source_base/module_container/ATen/kernels:\ +./source_base/module_container/ATen/ops:\ +./source_base/module_device:\ +./source_base/module_mixing:\ ./module_md:\ ./module_basis/module_pw:\ ./module_basis/module_pw/module_fft:\ diff --git a/source/module_basis/module_ao/ORB_atomic.h b/source/module_basis/module_ao/ORB_atomic.h index 2539e0a0c9..71212f8b28 100644 --- a/source/module_basis/module_ao/ORB_atomic.h +++ b/source/module_basis/module_ao/ORB_atomic.h @@ -3,8 +3,8 @@ #include -#include "module_base/intarray.h" -#include "module_base/vector3.h" +#include "source_base/intarray.h" +#include "source_base/vector3.h" #include "ORB_atomic_lm.h" class Numerical_Orbital_AtomRelation diff --git a/source/module_basis/module_ao/ORB_atomic_lm.cpp b/source/module_basis/module_ao/ORB_atomic_lm.cpp index 9807df4f3f..72729e91ed 100644 --- a/source/module_basis/module_ao/ORB_atomic_lm.cpp +++ b/source/module_basis/module_ao/ORB_atomic_lm.cpp @@ -1,11 +1,11 @@ #include "ORB_atomic_lm.h" -#include "module_base/sph_bessel_recursive.h" +#include "source_base/sph_bessel_recursive.h" #include "module_parameter/parameter.h" -#include "module_base/blas_connector.h" -#include "module_base/timer.h" -#include "module_base/math_integral.h" -#include "module_base/math_sphbes.h" -#include "module_base/constants.h" +#include "source_base/blas_connector.h" +#include "source_base/timer.h" +#include "source_base/math_integral.h" +#include "source_base/math_sphbes.h" +#include "source_base/constants.h" #ifdef _OPENMP #include @@ -216,7 +216,7 @@ void Numerical_Orbital_Lm::copy_parameter( this->kcut = (nk-1) * this->dk; } -#include "module_base/mathzone_add1.h" +#include "source_base/mathzone_add1.h" void Numerical_Orbital_Lm::extra_uniform(const double &dr_uniform_in, const bool &force_flag) { ModuleBase::timer::tick("NOrbital_Lm", "extra_uniform"); diff --git a/source/module_basis/module_ao/ORB_atomic_lm.h b/source/module_basis/module_ao/ORB_atomic_lm.h index 134ad8316f..9b2be4f01a 100644 --- a/source/module_basis/module_ao/ORB_atomic_lm.h +++ b/source/module_basis/module_ao/ORB_atomic_lm.h @@ -8,8 +8,8 @@ #include using std::vector; -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" /** * CLASS Num_orbital_lm diff --git a/source/module_basis/module_ao/ORB_gaunt_table.cpp b/source/module_basis/module_ao/ORB_gaunt_table.cpp index 26dfc38ed8..e314bc87d6 100644 --- a/source/module_basis/module_ao/ORB_gaunt_table.cpp +++ b/source/module_basis/module_ao/ORB_gaunt_table.cpp @@ -1,13 +1,13 @@ #include #include #include "ORB_gaunt_table.h" -#include "module_base/timer.h" -#include "module_base/memory.h" -#include "module_base/mathzone.h" -#include "module_base/global_function.h" -#include "module_base/vector3.h" -#include "module_base/constants.h" -#include "module_base/math_ylmreal.h" +#include "source_base/timer.h" +#include "source_base/memory.h" +#include "source_base/mathzone.h" +#include "source_base/global_function.h" +#include "source_base/vector3.h" +#include "source_base/constants.h" +#include "source_base/math_ylmreal.h" ORB_gaunt_table::ORB_gaunt_table(){} ORB_gaunt_table::~ORB_gaunt_table(){} diff --git a/source/module_basis/module_ao/ORB_gaunt_table.h b/source/module_basis/module_ao/ORB_gaunt_table.h index 3db96604b6..6e4eed550c 100644 --- a/source/module_basis/module_ao/ORB_gaunt_table.h +++ b/source/module_basis/module_ao/ORB_gaunt_table.h @@ -2,8 +2,8 @@ #define ORB_GAUNT_TABLE_H #include -#include "module_base/realarray.h" -#include "module_base/matrix.h" +#include "source_base/realarray.h" +#include "source_base/matrix.h" class ORB_gaunt_table { diff --git a/source/module_basis/module_ao/ORB_nonlocal.cpp b/source/module_basis/module_ao/ORB_nonlocal.cpp index 86ec82be22..d8775e0b36 100644 --- a/source/module_basis/module_ao/ORB_nonlocal.cpp +++ b/source/module_basis/module_ao/ORB_nonlocal.cpp @@ -1,5 +1,5 @@ #include "ORB_nonlocal.h" -#include "module_base/global_function.h" +#include "source_base/global_function.h" Numerical_Nonlocal::Numerical_Nonlocal() { diff --git a/source/module_basis/module_ao/ORB_nonlocal.h b/source/module_basis/module_ao/ORB_nonlocal.h index 8991620f16..bc5e5776ae 100644 --- a/source/module_basis/module_ao/ORB_nonlocal.h +++ b/source/module_basis/module_ao/ORB_nonlocal.h @@ -1,8 +1,8 @@ #ifndef NUMERICAL_NONLOCAL_H #define NUMERICAL_NONLOCAL_H -#include "module_base/complexarray.h" -#include "module_base/complexmatrix.h" +#include "source_base/complexarray.h" +#include "source_base/complexmatrix.h" #include "ORB_nonlocal_lm.h" /** * \class Numerical_Nonlocal diff --git a/source/module_basis/module_ao/ORB_nonlocal_lm.cpp b/source/module_basis/module_ao/ORB_nonlocal_lm.cpp index 9db01eb4a1..361ecda7a3 100644 --- a/source/module_basis/module_ao/ORB_nonlocal_lm.cpp +++ b/source/module_basis/module_ao/ORB_nonlocal_lm.cpp @@ -1,12 +1,12 @@ #include "ORB_nonlocal_lm.h" -#include "module_base/constants.h" -#include "module_base/global_function.h" -#include "module_base/math_integral.h" -#include "module_base/math_polyint.h" -#include "module_base/math_sphbes.h" -#include "module_base/mathzone.h" /// use Polynomial_Interpolation_xy, Spherical_Bessel -#include "module_base/mathzone_add1.h" /// use SplineD2 +#include "source_base/constants.h" +#include "source_base/global_function.h" +#include "source_base/math_integral.h" +#include "source_base/math_polyint.h" +#include "source_base/math_sphbes.h" +#include "source_base/mathzone.h" /// use Polynomial_Interpolation_xy, Spherical_Bessel +#include "source_base/mathzone_add1.h" /// use SplineD2 #include "module_parameter/parameter.h" #include diff --git a/source/module_basis/module_ao/ORB_read.cpp b/source/module_basis/module_ao/ORB_read.cpp index c1c77461ee..36d5d55f35 100644 --- a/source/module_basis/module_ao/ORB_read.cpp +++ b/source/module_basis/module_ao/ORB_read.cpp @@ -1,9 +1,9 @@ #include "ORB_read.h" -#include "module_base/math_integral.h" -#include "module_base/parallel_common.h" -#include "module_base/timer.h" -#include "module_base/tool_check.h" +#include "source_base/math_integral.h" +#include "source_base/parallel_common.h" +#include "source_base/timer.h" +#include "source_base/tool_check.h" #include "module_parameter/parameter.h" #include diff --git a/source/module_basis/module_ao/parallel_orbitals.cpp b/source/module_basis/module_ao/parallel_orbitals.cpp index 4b6132cac4..985c769565 100644 --- a/source/module_basis/module_ao/parallel_orbitals.cpp +++ b/source/module_basis/module_ao/parallel_orbitals.cpp @@ -1,8 +1,8 @@ #include "parallel_orbitals.h" -#include "module_base/blacs_connector.h" -#include "module_base/scalapack_connector.h" -#include "module_base/global_function.h" +#include "source_base/blacs_connector.h" +#include "source_base/scalapack_connector.h" +#include "source_base/global_function.h" Parallel_Orbitals::Parallel_Orbitals() { diff --git a/source/module_basis/module_ao/parallel_orbitals.h b/source/module_basis/module_ao/parallel_orbitals.h index 77f094e361..1ff74d3b2d 100644 --- a/source/module_basis/module_ao/parallel_orbitals.h +++ b/source/module_basis/module_ao/parallel_orbitals.h @@ -1,6 +1,6 @@ #ifndef _PARALLEL_ORBITALS_H_ #define _PARALLEL_ORBITALS_H_ -#include "module_base/parallel_2d.h" +#include "source_base/parallel_2d.h" #include /// This class packs the information of 2D-block-cyclic for LCAO code: diff --git a/source/module_basis/module_ao/test/1_snap_equal_test.cpp b/source/module_basis/module_ao/test/1_snap_equal_test.cpp index 95e99fd3f6..d29418ddad 100644 --- a/source/module_basis/module_ao/test/1_snap_equal_test.cpp +++ b/source/module_basis/module_ao/test/1_snap_equal_test.cpp @@ -1,6 +1,6 @@ #include #include"ORB_unittest.h" -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" //Test whether the 2-center-int results // and its derivative from two clases are equal. diff --git a/source/module_basis/module_ao/test/CMakeLists.txt b/source/module_basis/module_ao/test/CMakeLists.txt index 1cde85d51e..a51a5aaeda 100644 --- a/source/module_basis/module_ao/test/CMakeLists.txt +++ b/source/module_basis/module_ao/test/CMakeLists.txt @@ -1,35 +1,35 @@ remove_definitions(-D__EXX) list(APPEND depend_files - ../../../module_base/math_integral.cpp - ../../../module_base/math_sphbes.cpp - ../../../module_base/math_polyint.cpp - ../../../module_base/math_ylmreal.cpp - ../../../module_base/ylm.cpp - ../../../module_base/memory.cpp - ../../../module_base/blas_connector_base.cpp - ../../../module_base/blas_connector_vector.cpp - ../../../module_base/blas_connector_matrix.cpp - ../../../module_base/complexarray.cpp - ../../../module_base/complexmatrix.cpp - ../../../module_base/matrix.cpp - ../../../module_base/realarray.cpp - ../../../module_base/intarray.cpp - ../../../module_base/sph_bessel_recursive-d1.cpp - ../../../module_base/sph_bessel_recursive-d2.cpp - ../../../module_base/tool_title.cpp - ../../../module_base/tool_quit.cpp - ../../../module_base/tool_check.cpp - ../../../module_base/timer.cpp - ../../../module_base/mathzone_add1.cpp - ../../../module_base/global_variable.cpp - ../../../module_base/global_function.cpp - ../../../module_base/global_file.cpp - ../../../module_base/libm/branred.cpp - ../../../module_base/libm/sincos.cpp - ../../../module_base/spherical_bessel_transformer.cpp - ../../../module_base/cubic_spline.cpp - ../../../module_base/parallel_2d.cpp + ../../../source_base/math_integral.cpp + ../../../source_base/math_sphbes.cpp + ../../../source_base/math_polyint.cpp + ../../../source_base/math_ylmreal.cpp + ../../../source_base/ylm.cpp + ../../../source_base/memory.cpp + ../../../source_base/blas_connector_base.cpp + ../../../source_base/blas_connector_vector.cpp + ../../../source_base/blas_connector_matrix.cpp + ../../../source_base/complexarray.cpp + ../../../source_base/complexmatrix.cpp + ../../../source_base/matrix.cpp + ../../../source_base/realarray.cpp + ../../../source_base/intarray.cpp + ../../../source_base/sph_bessel_recursive-d1.cpp + ../../../source_base/sph_bessel_recursive-d2.cpp + ../../../source_base/tool_title.cpp + ../../../source_base/tool_quit.cpp + ../../../source_base/tool_check.cpp + ../../../source_base/timer.cpp + ../../../source_base/mathzone_add1.cpp + ../../../source_base/global_variable.cpp + ../../../source_base/global_function.cpp + ../../../source_base/global_file.cpp + ../../../source_base/libm/branred.cpp + ../../../source_base/libm/sincos.cpp + ../../../source_base/spherical_bessel_transformer.cpp + ../../../source_base/cubic_spline.cpp + ../../../source_base/parallel_2d.cpp ../ORB_read.cpp ../ORB_atomic.cpp ../ORB_atomic_lm.cpp diff --git a/source/module_basis/module_ao/test/ORB_atomic_lm_test.cpp b/source/module_basis/module_ao/test/ORB_atomic_lm_test.cpp index bf46859517..80f1fafc9b 100644 --- a/source/module_basis/module_ao/test/ORB_atomic_lm_test.cpp +++ b/source/module_basis/module_ao/test/ORB_atomic_lm_test.cpp @@ -1,5 +1,5 @@ #include "gtest/gtest.h" -#include "module_base/math_integral.h" +#include "source_base/math_integral.h" #define private public #include "module_parameter/parameter.h" #undef private diff --git a/source/module_basis/module_ao/test/ORB_nonlocal_lm_test.cpp b/source/module_basis/module_ao/test/ORB_nonlocal_lm_test.cpp index c2cf09ba08..52f2249266 100644 --- a/source/module_basis/module_ao/test/ORB_nonlocal_lm_test.cpp +++ b/source/module_basis/module_ao/test/ORB_nonlocal_lm_test.cpp @@ -1,10 +1,10 @@ #include "gtest/gtest.h" -#include "module_base/global_function.h" +#include "source_base/global_function.h" #define private public #include "module_parameter/parameter.h" #undef private -#include "module_base/global_variable.h" -#include "module_base/math_integral.h" +#include "source_base/global_variable.h" +#include "source_base/math_integral.h" #include #include diff --git a/source/module_basis/module_ao/test/ORB_nonlocal_test.cpp b/source/module_basis/module_ao/test/ORB_nonlocal_test.cpp index d1654144d1..b02b284319 100644 --- a/source/module_basis/module_ao/test/ORB_nonlocal_test.cpp +++ b/source/module_basis/module_ao/test/ORB_nonlocal_test.cpp @@ -1,5 +1,5 @@ #include "gtest/gtest.h" -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" #define private public #include "module_basis/module_ao/ORB_nonlocal.h" diff --git a/source/module_basis/module_ao/test/ORB_read_test.cpp b/source/module_basis/module_ao/test/ORB_read_test.cpp index 13385ecad4..088448f0f1 100644 --- a/source/module_basis/module_ao/test/ORB_read_test.cpp +++ b/source/module_basis/module_ao/test/ORB_read_test.cpp @@ -1,6 +1,6 @@ #include #include "gtest/gtest.h" -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" #include "module_basis/module_ao/ORB_atomic.h" #include "module_basis/module_ao/ORB_atomic_lm.h" diff --git a/source/module_basis/module_ao/test/ORB_unittest.h b/source/module_basis/module_ao/test/ORB_unittest.h index 509a72541c..9288339281 100644 --- a/source/module_basis/module_ao/test/ORB_unittest.h +++ b/source/module_basis/module_ao/test/ORB_unittest.h @@ -1,7 +1,7 @@ #ifndef _ORBUNITTEST_ #define _ORBUNITTEST_ -#include "module_base/global_function.h" +#include "source_base/global_function.h" #include "module_basis/module_ao/ORB_control.h" #include "module_hamilt_lcao/hamilt_lcaodft/center2_orb-orb11.h" diff --git a/source/module_basis/module_nao/atomic_radials.cpp b/source/module_basis/module_nao/atomic_radials.cpp index 42a9867662..a27266202b 100644 --- a/source/module_basis/module_nao/atomic_radials.cpp +++ b/source/module_basis/module_nao/atomic_radials.cpp @@ -1,13 +1,13 @@ #include "module_basis/module_nao/atomic_radials.h" -#include "module_base/math_integral.h" -#include "module_base/parallel_common.h" -#include "module_base/tool_quit.h" +#include "source_base/math_integral.h" +#include "source_base/parallel_common.h" +#include "source_base/tool_quit.h" // FIXME: should update with pyabacus // #include "module_io/orb_io.h" -#include "module_base/projgen.h" +#include "source_base/projgen.h" #include #include diff --git a/source/module_basis/module_nao/beta_radials.cpp b/source/module_basis/module_nao/beta_radials.cpp index fdef1822d0..f220ed95b8 100644 --- a/source/module_basis/module_nao/beta_radials.cpp +++ b/source/module_basis/module_nao/beta_radials.cpp @@ -1,9 +1,9 @@ #include "module_basis/module_nao/beta_radials.h" #include "module_parameter/parameter.h" -#include "module_base/global_variable.h" -#include "module_base/parallel_common.h" -#include "module_base/tool_quit.h" +#include "source_base/global_variable.h" +#include "source_base/parallel_common.h" +#include "source_base/tool_quit.h" #include diff --git a/source/module_basis/module_nao/hydrogen_radials.cpp b/source/module_basis/module_nao/hydrogen_radials.cpp index a0e6479774..a342f877ba 100644 --- a/source/module_basis/module_nao/hydrogen_radials.cpp +++ b/source/module_basis/module_nao/hydrogen_radials.cpp @@ -1,7 +1,7 @@ #include "module_basis/module_nao/hydrogen_radials.h" -#include "module_base/global_variable.h" -#include "module_base/math_integral.h" -#include "module_base/atom_in.h" // for calculating slater screening constant +#include "source_base/global_variable.h" +#include "source_base/math_integral.h" +#include "source_base/atom_in.h" // for calculating slater screening constant #include #include #include diff --git a/source/module_basis/module_nao/hydrogen_radials.h b/source/module_basis/module_nao/hydrogen_radials.h index a1242fb709..0013cc46f4 100644 --- a/source/module_basis/module_nao/hydrogen_radials.h +++ b/source/module_basis/module_nao/hydrogen_radials.h @@ -2,7 +2,7 @@ #define HYDROGEN_RADIALS_H_ #include "module_basis/module_nao/radial_set.h" -#include "module_base/assoc_laguerre.h" +#include "source_base/assoc_laguerre.h" // include pair container #include // include map container diff --git a/source/module_basis/module_nao/numerical_radial.cpp b/source/module_basis/module_nao/numerical_radial.cpp index f7f039c04e..6ce5b4270f 100644 --- a/source/module_basis/module_nao/numerical_radial.cpp +++ b/source/module_basis/module_nao/numerical_radial.cpp @@ -6,11 +6,11 @@ #include #include -#include "module_base/constants.h" -#include "module_base/cubic_spline.h" -#include "module_base/global_variable.h" -#include "module_base/math_integral.h" -#include "module_base/spherical_bessel_transformer.h" +#include "source_base/constants.h" +#include "source_base/cubic_spline.h" +#include "source_base/global_variable.h" +#include "source_base/math_integral.h" +#include "source_base/spherical_bessel_transformer.h" #include "module_parameter/parameter.h" using ModuleBase::PI; diff --git a/source/module_basis/module_nao/numerical_radial.h b/source/module_basis/module_nao/numerical_radial.h index f94f5a88b1..18e9f2a00a 100644 --- a/source/module_basis/module_nao/numerical_radial.h +++ b/source/module_basis/module_nao/numerical_radial.h @@ -5,7 +5,7 @@ #include #include -#include "module_base/spherical_bessel_transformer.h" +#include "source_base/spherical_bessel_transformer.h" #include "module_basis/module_ao/ORB_atomic_lm.h" /** diff --git a/source/module_basis/module_nao/pswfc_radials.cpp b/source/module_basis/module_nao/pswfc_radials.cpp index b871025029..d8cef912eb 100644 --- a/source/module_basis/module_nao/pswfc_radials.cpp +++ b/source/module_basis/module_nao/pswfc_radials.cpp @@ -1,13 +1,13 @@ #include "module_basis/module_nao/pswfc_radials.h" -#include "module_base/math_integral.h" -#include "module_base/tool_quit.h" +#include "source_base/math_integral.h" +#include "source_base/tool_quit.h" #include #include #ifdef __MPI -#include "module_base/parallel_common.h" +#include "source_base/parallel_common.h" #endif PswfcRadials& PswfcRadials::operator=(const PswfcRadials& rhs) diff --git a/source/module_basis/module_nao/radial_collection.cpp b/source/module_basis/module_nao/radial_collection.cpp index 10df8a6e5c..0ab1f027cb 100644 --- a/source/module_basis/module_nao/radial_collection.cpp +++ b/source/module_basis/module_nao/radial_collection.cpp @@ -1,14 +1,14 @@ #include "module_basis/module_nao/radial_collection.h" #include -#include "module_base/spherical_bessel_transformer.h" +#include "source_base/spherical_bessel_transformer.h" #include "module_basis/module_nao/atomic_radials.h" #include "module_basis/module_nao/beta_radials.h" #include "module_basis/module_nao/sphbes_radials.h" -#include "module_base/parallel_common.h" -#include "module_base/tool_quit.h" -#include "module_base/global_variable.h" +#include "source_base/parallel_common.h" +#include "source_base/tool_quit.h" +#include "source_base/global_variable.h" #include "module_basis/module_nao/hydrogen_radials.h" #include "module_basis/module_nao/pswfc_radials.h" diff --git a/source/module_basis/module_nao/radial_set.cpp b/source/module_basis/module_nao/radial_set.cpp index 3b00ba679a..44fe185ad7 100644 --- a/source/module_basis/module_nao/radial_set.cpp +++ b/source/module_basis/module_nao/radial_set.cpp @@ -5,7 +5,7 @@ #include #include -#include "module_base/spherical_bessel_transformer.h" +#include "source_base/spherical_bessel_transformer.h" // FIXME: should update with pyabacus // #include "module_io/orb_io.h" diff --git a/source/module_basis/module_nao/radial_set.h b/source/module_basis/module_nao/radial_set.h index b102a30951..8da82673a5 100644 --- a/source/module_basis/module_nao/radial_set.h +++ b/source/module_basis/module_nao/radial_set.h @@ -6,7 +6,7 @@ #include #include -#include "module_base/spherical_bessel_transformer.h" +#include "source_base/spherical_bessel_transformer.h" #include "module_basis/module_nao/numerical_radial.h" #include "module_basis/module_ao/ORB_nonlocal.h" #include "module_basis/module_ao/ORB_atomic.h" diff --git a/source/module_basis/module_nao/real_gaunt_table.cpp b/source/module_basis/module_nao/real_gaunt_table.cpp index 03f49a079a..33ef67133c 100644 --- a/source/module_basis/module_nao/real_gaunt_table.cpp +++ b/source/module_basis/module_nao/real_gaunt_table.cpp @@ -4,7 +4,7 @@ #include #include -#include "module_base/constants.h" +#include "source_base/constants.h" void RealGauntTable::build(const int lmax) { diff --git a/source/module_basis/module_nao/sphbes_radials.cpp b/source/module_basis/module_nao/sphbes_radials.cpp index 829b446031..f71fb064c6 100644 --- a/source/module_basis/module_nao/sphbes_radials.cpp +++ b/source/module_basis/module_nao/sphbes_radials.cpp @@ -1,8 +1,8 @@ #include "module_basis/module_nao/sphbes_radials.h" -#include "module_base/math_sphbes.h" -#include "module_base/parallel_common.h" -#include "module_base/tool_quit.h" +#include "source_base/math_sphbes.h" +#include "source_base/parallel_common.h" +#include "source_base/tool_quit.h" #include #include diff --git a/source/module_basis/module_nao/test/atomic_radials_test.cpp b/source/module_basis/module_nao/test/atomic_radials_test.cpp index f1a64c2e07..1dca3c668d 100644 --- a/source/module_basis/module_nao/test/atomic_radials_test.cpp +++ b/source/module_basis/module_nao/test/atomic_radials_test.cpp @@ -1,14 +1,14 @@ #include "module_basis/module_nao/atomic_radials.h" #include "gtest/gtest.h" -#include "module_base/spherical_bessel_transformer.h" +#include "source_base/spherical_bessel_transformer.h" #ifdef __MPI #include #endif -#include "module_base/constants.h" -#include "module_base/global_variable.h" +#include "source_base/constants.h" +#include "source_base/global_variable.h" #include "module_basis/module_ao/ORB_atomic.h" using ModuleBase::SphericalBesselTransformer; diff --git a/source/module_basis/module_nao/test/beta_radials_test.cpp b/source/module_basis/module_nao/test/beta_radials_test.cpp index d9378f28a0..d18024db09 100644 --- a/source/module_basis/module_nao/test/beta_radials_test.cpp +++ b/source/module_basis/module_nao/test/beta_radials_test.cpp @@ -6,8 +6,8 @@ #include #endif -#include "module_base/constants.h" -#include "module_base/global_variable.h" +#include "source_base/constants.h" +#include "source_base/global_variable.h" /*********************************************************** * Unit test of class "BetaRadials" diff --git a/source/module_basis/module_nao/test/hydrogen_radials_test.cpp b/source/module_basis/module_nao/test/hydrogen_radials_test.cpp index db169801d1..d472c70a43 100644 --- a/source/module_basis/module_nao/test/hydrogen_radials_test.cpp +++ b/source/module_basis/module_nao/test/hydrogen_radials_test.cpp @@ -1,7 +1,7 @@ #include #include #include "module_basis/module_nao/hydrogen_radials.h" -#include "module_base/math_integral.h" +#include "source_base/math_integral.h" #ifdef __MPI #include diff --git a/source/module_basis/module_nao/test/numerical_radial_test.cpp b/source/module_basis/module_nao/test/numerical_radial_test.cpp index 170699040d..af6236a6c8 100644 --- a/source/module_basis/module_nao/test/numerical_radial_test.cpp +++ b/source/module_basis/module_nao/test/numerical_radial_test.cpp @@ -3,13 +3,13 @@ #include #include "gtest/gtest.h" -#include "module_base/spherical_bessel_transformer.h" +#include "source_base/spherical_bessel_transformer.h" #ifdef __MPI #include #endif -#include "module_base/constants.h" +#include "source_base/constants.h" #include "module_basis/module_nao/numerical_radial.h" using ModuleBase::PI; diff --git a/source/module_basis/module_nao/test/projgen_test.cpp b/source/module_basis/module_nao/test/projgen_test.cpp index 2feaadfb7a..620bd7786d 100644 --- a/source/module_basis/module_nao/test/projgen_test.cpp +++ b/source/module_basis/module_nao/test/projgen_test.cpp @@ -1,9 +1,9 @@ -#include "module_base/projgen.h" +#include "source_base/projgen.h" #include "gtest/gtest.h" -#include "module_base/math_integral.h" -#include "module_base/math_sphbes.h" -#include "module_base/cubic_spline.h" +#include "source_base/math_integral.h" +#include "source_base/math_sphbes.h" +#include "source_base/cubic_spline.h" #include #include diff --git a/source/module_basis/module_nao/test/radial_collection_test.cpp b/source/module_basis/module_nao/test/radial_collection_test.cpp index 2838cd7294..cdead42048 100644 --- a/source/module_basis/module_nao/test/radial_collection_test.cpp +++ b/source/module_basis/module_nao/test/radial_collection_test.cpp @@ -1,6 +1,6 @@ #include "module_basis/module_nao/radial_collection.h" #include "gtest/gtest.h" -#include "module_base/spherical_bessel_transformer.h" +#include "source_base/spherical_bessel_transformer.h" #ifdef __MPI #include diff --git a/source/module_basis/module_nao/test/real_gaunt_table_test.cpp b/source/module_basis/module_nao/test/real_gaunt_table_test.cpp index 3f8c198060..eb373620ef 100644 --- a/source/module_basis/module_nao/test/real_gaunt_table_test.cpp +++ b/source/module_basis/module_nao/test/real_gaunt_table_test.cpp @@ -11,7 +11,7 @@ #include using iclock = std::chrono::high_resolution_clock; -#include "module_base/constants.h" +#include "source_base/constants.h" #include "module_basis/module_ao/ORB_gaunt_table.h" /*********************************************************** diff --git a/source/module_basis/module_nao/test/sphbes_radials_test.cpp b/source/module_basis/module_nao/test/sphbes_radials_test.cpp index 748ee3629d..9f550bde5e 100644 --- a/source/module_basis/module_nao/test/sphbes_radials_test.cpp +++ b/source/module_basis/module_nao/test/sphbes_radials_test.cpp @@ -2,8 +2,8 @@ #include "gtest/gtest.h" -#include "module_base/global_variable.h" -#include "module_base/math_sphbes.h" +#include "source_base/global_variable.h" +#include "source_base/math_sphbes.h" #ifdef __MPI #include diff --git a/source/module_basis/module_nao/test/two_center_bundle_test.cpp b/source/module_basis/module_nao/test/two_center_bundle_test.cpp index a517b486d5..9d05b01f87 100644 --- a/source/module_basis/module_nao/test/two_center_bundle_test.cpp +++ b/source/module_basis/module_nao/test/two_center_bundle_test.cpp @@ -1,8 +1,8 @@ #include "module_basis/module_nao/two_center_bundle.h" #include "gtest/gtest.h" -#include "module_base/ylm.h" -#include "module_base/global_variable.h" +#include "source_base/ylm.h" +#include "source_base/global_variable.h" #ifdef __MPI #include diff --git a/source/module_basis/module_nao/test/two_center_integrator_test.cpp b/source/module_basis/module_nao/test/two_center_integrator_test.cpp index c616504eed..b0f8a8bf1c 100644 --- a/source/module_basis/module_nao/test/two_center_integrator_test.cpp +++ b/source/module_basis/module_nao/test/two_center_integrator_test.cpp @@ -1,10 +1,10 @@ #include "module_basis/module_nao/two_center_integrator.h" -#include "module_base/constants.h" -#include "module_base/math_sphbes.h" -#include "module_base/spherical_bessel_transformer.h" -#include "module_base/vector3.h" -#include "module_base/ylm.h" +#include "source_base/constants.h" +#include "source_base/math_sphbes.h" +#include "source_base/spherical_bessel_transformer.h" +#include "source_base/vector3.h" +#include "source_base/ylm.h" #include "gtest/gtest.h" #include diff --git a/source/module_basis/module_nao/test/two_center_table_test.cpp b/source/module_basis/module_nao/test/two_center_table_test.cpp index 554f1cce3f..1fc2afa005 100644 --- a/source/module_basis/module_nao/test/two_center_table_test.cpp +++ b/source/module_basis/module_nao/test/two_center_table_test.cpp @@ -1,8 +1,8 @@ #include "module_basis/module_nao/two_center_table.h" -#include "module_base/constants.h" -#include "module_base/math_integral.h" -#include "module_base/spherical_bessel_transformer.h" +#include "source_base/constants.h" +#include "source_base/math_integral.h" +#include "source_base/spherical_bessel_transformer.h" #include "gtest/gtest.h" #include diff --git a/source/module_basis/module_nao/two_center_bundle.cpp b/source/module_basis/module_nao/two_center_bundle.cpp index e01ad1bfa2..081b0a7249 100644 --- a/source/module_basis/module_nao/two_center_bundle.cpp +++ b/source/module_basis/module_nao/two_center_bundle.cpp @@ -1,9 +1,9 @@ #include "module_basis/module_nao/two_center_bundle.h" -#include "module_base/global_variable.h" -#include "module_base/memory.h" -#include "module_base/parallel_common.h" -#include "module_base/ylm.h" +#include "source_base/global_variable.h" +#include "source_base/memory.h" +#include "source_base/parallel_common.h" +#include "source_base/ylm.h" #include "module_basis/module_nao/real_gaunt_table.h" #include "module_parameter/parameter.h" diff --git a/source/module_basis/module_nao/two_center_integrator.cpp b/source/module_basis/module_nao/two_center_integrator.cpp index cfacc0f07a..a7bfb13e26 100644 --- a/source/module_basis/module_nao/two_center_integrator.cpp +++ b/source/module_basis/module_nao/two_center_integrator.cpp @@ -1,8 +1,8 @@ #include "module_basis/module_nao/two_center_integrator.h" -#include "module_base/vector3.h" -#include "module_base/ylm.h" -#include "module_base/array_pool.h" +#include "source_base/vector3.h" +#include "source_base/ylm.h" +#include "source_base/array_pool.h" TwoCenterIntegrator::TwoCenterIntegrator(): is_tabulated_(false), diff --git a/source/module_basis/module_nao/two_center_integrator.h b/source/module_basis/module_nao/two_center_integrator.h index 0dd0c69a1c..165960c233 100644 --- a/source/module_basis/module_nao/two_center_integrator.h +++ b/source/module_basis/module_nao/two_center_integrator.h @@ -4,7 +4,7 @@ #include "module_basis/module_nao/two_center_table.h" #include "module_basis/module_nao/real_gaunt_table.h" #include "module_basis/module_nao/radial_collection.h" -#include "module_base/vector3.h" +#include "source_base/vector3.h" /*! * @brief A class to compute two-center integrals diff --git a/source/module_basis/module_nao/two_center_table.cpp b/source/module_basis/module_nao/two_center_table.cpp index f5f6e07193..a2b5db84c0 100644 --- a/source/module_basis/module_nao/two_center_table.cpp +++ b/source/module_basis/module_nao/two_center_table.cpp @@ -1,8 +1,8 @@ #include "module_basis/module_nao/two_center_table.h" -#include "module_base/constants.h" -#include "module_base/cubic_spline.h" -#include "module_base/math_integral.h" +#include "source_base/constants.h" +#include "source_base/cubic_spline.h" +#include "source_base/math_integral.h" #include #include diff --git a/source/module_basis/module_nao/two_center_table.h b/source/module_basis/module_nao/two_center_table.h index dff8a21502..291fda87d3 100644 --- a/source/module_basis/module_nao/two_center_table.h +++ b/source/module_basis/module_nao/two_center_table.h @@ -2,7 +2,7 @@ #define TWO_CENTER_TABLE_H #include -#include "module_base/spherical_bessel_transformer.h" +#include "source_base/spherical_bessel_transformer.h" #include "module_basis/module_nao/radial_collection.h" class TwoCenterTable diff --git a/source/module_basis/module_pw/kernels/test/CMakeLists.txt b/source/module_basis/module_pw/kernels/test/CMakeLists.txt index b0c35b294a..861474785a 100644 --- a/source/module_basis/module_pw/kernels/test/CMakeLists.txt +++ b/source/module_basis/module_pw/kernels/test/CMakeLists.txt @@ -4,10 +4,10 @@ AddTest( TARGET PW_Kernels_UTs LIBS parameter ${math_libs} psi device SOURCES pw_op_test.cpp - ../../../../module_base/tool_quit.cpp ../../../../module_base/global_variable.cpp - ../../../../module_base/parallel_global.cpp ../../../../module_base/parallel_reduce.cpp - ../../../../module_base/parallel_comm.cpp - ../../../../module_base/complexmatrix.cpp ../../../../module_base/matrix.cpp ../../../../module_base/memory.cpp - ../../../../module_base/libm/branred.cpp ../../../../module_base/libm/sincos.cpp - ../../../../module_base/blas_connector_base.cpp ../../../../module_base/blas_connector_vector.cpp ../../../../module_base/blas_connector_matrix.cpp + ../../../../source_base/tool_quit.cpp ../../../../source_base/global_variable.cpp + ../../../../source_base/parallel_global.cpp ../../../../source_base/parallel_reduce.cpp + ../../../../source_base/parallel_comm.cpp + ../../../../source_base/complexmatrix.cpp ../../../../source_base/matrix.cpp ../../../../source_base/memory.cpp + ../../../../source_base/libm/branred.cpp ../../../../source_base/libm/sincos.cpp + ../../../../source_base/blas_connector_base.cpp ../../../../source_base/blas_connector_vector.cpp ../../../../source_base/blas_connector_matrix.cpp ) \ No newline at end of file diff --git a/source/module_basis/module_pw/kernels/test/pw_op_test.cpp b/source/module_basis/module_pw/kernels/test/pw_op_test.cpp index e9bc07bd9e..cb09d4e682 100644 --- a/source/module_basis/module_pw/kernels/test/pw_op_test.cpp +++ b/source/module_basis/module_pw/kernels/test/pw_op_test.cpp @@ -1,6 +1,6 @@ #include "module_basis/module_pw/kernels/pw_op.h" -#include "module_base/module_device/memory_op.h" +#include "source_base/module_device/memory_op.h" #include #include diff --git a/source/module_basis/module_pw/module_fft/fft_bundle.cpp b/source/module_basis/module_pw/module_fft/fft_bundle.cpp index 7c0edeab08..8e318c8d6d 100644 --- a/source/module_basis/module_pw/module_fft/fft_bundle.cpp +++ b/source/module_basis/module_pw/module_fft/fft_bundle.cpp @@ -1,8 +1,8 @@ #include "fft_bundle.h" -#include "module_base/module_device/device.h" -#include "module_base/module_device/memory_op.h" -#include "module_base/tool_quit.h" +#include "source_base/module_device/device.h" +#include "source_base/module_device/memory_op.h" +#include "source_base/tool_quit.h" #include #if defined(__CUDA) diff --git a/source/module_basis/module_pw/module_fft/fft_cuda.cpp b/source/module_basis/module_pw/module_fft/fft_cuda.cpp index aab80e2944..bbcc603491 100644 --- a/source/module_basis/module_pw/module_fft/fft_cuda.cpp +++ b/source/module_basis/module_pw/module_fft/fft_cuda.cpp @@ -1,6 +1,6 @@ #include "fft_cuda.h" -#include "module_base/module_device/memory_op.h" +#include "source_base/module_device/memory_op.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" namespace ModulePW diff --git a/source/module_basis/module_pw/module_fft/fft_dsp.cpp b/source/module_basis/module_pw/module_fft/fft_dsp.cpp index a463f340cc..e26292cf5b 100644 --- a/source/module_basis/module_pw/module_fft/fft_dsp.cpp +++ b/source/module_basis/module_pw/module_fft/fft_dsp.cpp @@ -1,6 +1,6 @@ #include "fft_dsp.h" -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" #include #include diff --git a/source/module_basis/module_pw/module_fft/fft_rocm.cpp b/source/module_basis/module_pw/module_fft/fft_rocm.cpp index 1dd9c433ec..0e947141b9 100644 --- a/source/module_basis/module_pw/module_fft/fft_rocm.cpp +++ b/source/module_basis/module_pw/module_fft/fft_rocm.cpp @@ -1,5 +1,5 @@ #include "fft_rocm.h" -#include "module_base/module_device/memory_op.h" +#include "source_base/module_device/memory_op.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" namespace ModulePW { diff --git a/source/module_basis/module_pw/pw_basis.cpp b/source/module_basis/module_pw/pw_basis.cpp index f4f7abf1dd..6a27cda397 100644 --- a/source/module_basis/module_pw/pw_basis.cpp +++ b/source/module_basis/module_pw/pw_basis.cpp @@ -1,9 +1,9 @@ #include "pw_basis.h" #include -#include "module_base/mymath.h" -#include "module_base/timer.h" -#include "module_base/global_function.h" +#include "source_base/mymath.h" +#include "source_base/timer.h" +#include "source_base/global_function.h" namespace ModulePW diff --git a/source/module_basis/module_pw/pw_basis.h b/source/module_basis/module_pw/pw_basis.h index e0f5dd071b..531245a81a 100644 --- a/source/module_basis/module_pw/pw_basis.h +++ b/source/module_basis/module_pw/pw_basis.h @@ -1,11 +1,11 @@ #ifndef PWBASIS_H #define PWBASIS_H -#include "module_base/macros.h" -#include "module_base/module_device/memory_op.h" -#include "module_base/matrix.h" -#include "module_base/matrix3.h" -#include "module_base/vector3.h" +#include "source_base/macros.h" +#include "source_base/module_device/memory_op.h" +#include "source_base/matrix.h" +#include "source_base/matrix3.h" +#include "source_base/vector3.h" #include #include "module_fft/fft_bundle.h" #include diff --git a/source/module_basis/module_pw/pw_basis_big.h b/source/module_basis/module_pw/pw_basis_big.h index 18aa822f44..2a04720877 100644 --- a/source/module_basis/module_pw/pw_basis_big.h +++ b/source/module_basis/module_pw/pw_basis_big.h @@ -1,7 +1,7 @@ #ifndef PW_BASIS_BIG_H #define PW_BASIS_BIG_H -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #ifdef __MPI #include "mpi.h" #endif diff --git a/source/module_basis/module_pw/pw_basis_k.cpp b/source/module_basis/module_pw/pw_basis_k.cpp index a4689ab2d2..306369a7c6 100644 --- a/source/module_basis/module_pw/pw_basis_k.cpp +++ b/source/module_basis/module_pw/pw_basis_k.cpp @@ -1,8 +1,8 @@ #include "pw_basis_k.h" -#include "module_base/constants.h" -#include "module_base/memory.h" -#include "module_base/timer.h" +#include "source_base/constants.h" +#include "source_base/memory.h" +#include "source_base/timer.h" #include "module_parameter/parameter.h" #include diff --git a/source/module_basis/module_pw/pw_basis_k.h b/source/module_basis/module_pw/pw_basis_k.h index cf2202e2b3..a65db77ca2 100644 --- a/source/module_basis/module_pw/pw_basis_k.h +++ b/source/module_basis/module_pw/pw_basis_k.h @@ -3,7 +3,7 @@ #include "pw_basis.h" #include "module_psi/psi.h" -#include "module_base/module_device/device.h" +#include "source_base/module_device/device.h" namespace ModulePW { diff --git a/source/module_basis/module_pw/pw_basis_k_big.h b/source/module_basis/module_pw/pw_basis_k_big.h index 065f122924..128c1d937d 100644 --- a/source/module_basis/module_pw/pw_basis_k_big.h +++ b/source/module_basis/module_pw/pw_basis_k_big.h @@ -1,7 +1,7 @@ #ifndef PW_BASIS_K_BIG_H #define PW_BASIS_K_BIG_H -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" // temporary class, because previous ABACUS consider big grid for fft grids // which are used for grid integration in LCAO. diff --git a/source/module_basis/module_pw/pw_basis_sup.cpp b/source/module_basis/module_pw/pw_basis_sup.cpp index 1b420f60da..6408bd3627 100644 --- a/source/module_basis/module_pw/pw_basis_sup.cpp +++ b/source/module_basis/module_pw/pw_basis_sup.cpp @@ -1,4 +1,4 @@ -#include "module_base/timer.h" +#include "source_base/timer.h" #include "pw_basis.h" #include "module_parameter/parameter.h" namespace ModulePW diff --git a/source/module_basis/module_pw/pw_basis_sup.h b/source/module_basis/module_pw/pw_basis_sup.h index 1a093e8645..9e6ada0054 100644 --- a/source/module_basis/module_pw/pw_basis_sup.h +++ b/source/module_basis/module_pw/pw_basis_sup.h @@ -1,7 +1,7 @@ #ifndef PWBASIS_SUP_H #define PWBASIS_SUP_H -#include "module_base/complexmatrix.h" +#include "source_base/complexmatrix.h" namespace ModulePW { diff --git a/source/module_basis/module_pw/pw_distributeg.cpp b/source/module_basis/module_pw/pw_distributeg.cpp index 0ae3d51553..e3f8b791bd 100644 --- a/source/module_basis/module_pw/pw_distributeg.cpp +++ b/source/module_basis/module_pw/pw_distributeg.cpp @@ -1,7 +1,7 @@ #include "pw_basis.h" -#include "module_base/tool_quit.h" -#include "module_base/global_function.h" -#include "module_base/timer.h" +#include "source_base/tool_quit.h" +#include "source_base/global_function.h" +#include "source_base/timer.h" #include "module_parameter/parameter.h" namespace ModulePW { diff --git a/source/module_basis/module_pw/pw_distributeg_method1.cpp b/source/module_basis/module_pw/pw_distributeg_method1.cpp index bd3de9e26b..a3e3e4ac89 100644 --- a/source/module_basis/module_pw/pw_distributeg_method1.cpp +++ b/source/module_basis/module_pw/pw_distributeg_method1.cpp @@ -1,6 +1,6 @@ #include "pw_basis.h" -#include "module_base/mymath.h" -#include "module_base/global_function.h" +#include "source_base/mymath.h" +#include "source_base/global_function.h" namespace ModulePW diff --git a/source/module_basis/module_pw/pw_distributeg_method2.cpp b/source/module_basis/module_pw/pw_distributeg_method2.cpp index 2456a9d4ac..7c2ae76fb1 100644 --- a/source/module_basis/module_pw/pw_distributeg_method2.cpp +++ b/source/module_basis/module_pw/pw_distributeg_method2.cpp @@ -1,6 +1,6 @@ #include "pw_basis.h" -#include "module_base/mymath.h" -#include "module_base/global_function.h" +#include "source_base/mymath.h" +#include "source_base/global_function.h" namespace ModulePW diff --git a/source/module_basis/module_pw/pw_distributer.cpp b/source/module_basis/module_pw/pw_distributer.cpp index b4a577c12b..cc2b14f772 100644 --- a/source/module_basis/module_pw/pw_distributer.cpp +++ b/source/module_basis/module_pw/pw_distributer.cpp @@ -1,5 +1,5 @@ #include "pw_basis.h" -#include "module_base/global_function.h" +#include "source_base/global_function.h" namespace ModulePW { diff --git a/source/module_basis/module_pw/pw_gatherscatter.h b/source/module_basis/module_pw/pw_gatherscatter.h index 97be6e5c23..827182d997 100644 --- a/source/module_basis/module_pw/pw_gatherscatter.h +++ b/source/module_basis/module_pw/pw_gatherscatter.h @@ -1,6 +1,6 @@ #include "pw_basis.h" -#include "module_base/global_function.h" -#include "module_base/timer.h" +#include "source_base/global_function.h" +#include "source_base/timer.h" #include "typeinfo" namespace ModulePW { diff --git a/source/module_basis/module_pw/pw_init.cpp b/source/module_basis/module_pw/pw_init.cpp index b70662491e..08c676d39f 100644 --- a/source/module_basis/module_pw/pw_init.cpp +++ b/source/module_basis/module_pw/pw_init.cpp @@ -1,5 +1,5 @@ #include "pw_basis.h" -#include "module_base/constants.h" +#include "source_base/constants.h" namespace ModulePW { diff --git a/source/module_basis/module_pw/pw_transform.cpp b/source/module_basis/module_pw/pw_transform.cpp index 9d83d57e3c..075e8bb6a1 100644 --- a/source/module_basis/module_pw/pw_transform.cpp +++ b/source/module_basis/module_pw/pw_transform.cpp @@ -1,5 +1,5 @@ -#include "module_base/global_function.h" -#include "module_base/timer.h" +#include "source_base/global_function.h" +#include "source_base/timer.h" #include "module_basis/module_pw/kernels/pw_op.h" #include "module_fft/fft_bundle.h" #include "pw_basis.h" diff --git a/source/module_basis/module_pw/pw_transform_gpu.cpp b/source/module_basis/module_pw/pw_transform_gpu.cpp index 6b3cfb045f..1a8ecfc13d 100644 --- a/source/module_basis/module_pw/pw_transform_gpu.cpp +++ b/source/module_basis/module_pw/pw_transform_gpu.cpp @@ -1,4 +1,4 @@ -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_basis/module_pw/kernels/pw_op.h" #include "pw_basis.h" namespace ModulePW diff --git a/source/module_basis/module_pw/pw_transform_k.cpp b/source/module_basis/module_pw/pw_transform_k.cpp index 61fb2892c2..f6f40a88fe 100644 --- a/source/module_basis/module_pw/pw_transform_k.cpp +++ b/source/module_basis/module_pw/pw_transform_k.cpp @@ -1,4 +1,4 @@ -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_basis/module_pw/kernels/pw_op.h" #include "pw_basis_k.h" #include "pw_gatherscatter.h" diff --git a/source/module_basis/module_pw/pw_transform_k_dsp.cpp b/source/module_basis/module_pw/pw_transform_k_dsp.cpp index 8c33041c1f..a2ed5ecc1a 100644 --- a/source/module_basis/module_pw/pw_transform_k_dsp.cpp +++ b/source/module_basis/module_pw/pw_transform_k_dsp.cpp @@ -1,4 +1,4 @@ -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_basis/module_pw/kernels/pw_op.h" #include "pw_basis_k.h" #include "pw_gatherscatter.h" diff --git a/source/module_basis/module_pw/test/CMakeLists.txt b/source/module_basis/module_pw/test/CMakeLists.txt index 8b1038af93..8fddff4322 100644 --- a/source/module_basis/module_pw/test/CMakeLists.txt +++ b/source/module_basis/module_pw/test/CMakeLists.txt @@ -2,11 +2,11 @@ add_definitions(-D__NORMAL) AddTest( TARGET pw_test LIBS parameter ${math_libs} planewave device - SOURCES ../../../module_base/matrix.cpp ../../../module_base/complexmatrix.cpp ../../../module_base/matrix3.cpp ../../../module_base/tool_quit.cpp - ../../../module_base/mymath.cpp ../../../module_base/timer.cpp ../../../module_base/memory.cpp - ../../../module_base/blas_connector_base.cpp ../../../module_base/blas_connector_vector.cpp ../../../module_base/blas_connector_matrix.cpp - ../../../module_base/libm/branred.cpp ../../../module_base/libm/sincos.cpp - ../../../module_base/module_device/memory_op.cpp + SOURCES ../../../source_base/matrix.cpp ../../../source_base/complexmatrix.cpp ../../../source_base/matrix3.cpp ../../../source_base/tool_quit.cpp + ../../../source_base/mymath.cpp ../../../source_base/timer.cpp ../../../source_base/memory.cpp + ../../../source_base/blas_connector_base.cpp ../../../source_base/blas_connector_vector.cpp ../../../source_base/blas_connector_matrix.cpp + ../../../source_base/libm/branred.cpp ../../../source_base/libm/sincos.cpp + ../../../source_base/module_device/memory_op.cpp depend_mock.cpp pw_test.cpp test1-1-1.cpp test1-1-2.cpp test1-2.cpp test1-3.cpp test1-4.cpp test1-5.cpp test2-1-1.cpp test2-1-2.cpp test2-2.cpp test2-3.cpp test3-1.cpp test3-2.cpp test3-3.cpp test3-3-2.cpp diff --git a/source/module_basis/module_pw/test/Makefile b/source/module_basis/module_pw/test/Makefile index 0e60ff17bf..7d62b4a997 100644 --- a/source/module_basis/module_pw/test/Makefile +++ b/source/module_basis/module_pw/test/Makefile @@ -25,7 +25,7 @@ GTEST_DIR = /home/qianrui/gnucompile/g_gtest # Compiler information #========================== HONG = -D__NORMAL -INCLUDES = -I. -I../../../ -I../../../source_main -I../../../module_base/module_container +INCLUDES = -I. -I../../../ -I../../../source_main -I../../../source_base/module_container LIBS = OPTS = -Ofast -march=native -std=c++11 -m64 ${INCLUDES} OBJ_DIR = obj @@ -102,10 +102,10 @@ GTESTOPTS = -I${GTEST_DIR}/include -L${GTEST_DIR}/lib -lgtest -lpthread -w # Objects #========================== VPATH=../../../source_main\ -../../../module_base\ -../../../module_base/module_device\ -../../../module_base/module_container/ATen/core\ -../../../module_base/module_container/ATen\ +../../../source_base\ +../../../source_base/module_device\ +../../../source_base/module_container/ATen/core\ +../../../source_base/module_container/ATen\ ../../../module_parameter\ ../module_fft\ ../\ diff --git a/source/module_basis/module_pw/test/generate.cpp b/source/module_basis/module_pw/test/generate.cpp index 06876e4e8d..31998b5c67 100644 --- a/source/module_basis/module_pw/test/generate.cpp +++ b/source/module_basis/module_pw/test/generate.cpp @@ -1,9 +1,9 @@ #include "../pw_basis.h" #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" -#include "module_base/global_function.h" -#include "module_base/constants.h" +#include "source_base/global_function.h" +#include "source_base/constants.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test-big.cpp b/source/module_basis/module_pw/test/test-big.cpp index a000a4b117..f1c2082d0b 100644 --- a/source/module_basis/module_pw/test/test-big.cpp +++ b/source/module_basis/module_pw/test/test-big.cpp @@ -4,11 +4,11 @@ #include "../pw_basis_k.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test-other.cpp b/source/module_basis/module_pw/test/test-other.cpp index 308f4c6c68..aee3c66ccd 100644 --- a/source/module_basis/module_pw/test/test-other.cpp +++ b/source/module_basis/module_pw/test/test-other.cpp @@ -4,12 +4,12 @@ #include "../pw_basis_k.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" -#include "module_base/module_device/types.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" +#include "source_base/module_device/types.h" #include "pw_test.h" #include "gmock/gmock.h" diff --git a/source/module_basis/module_pw/test/test1-1-1.cpp b/source/module_basis/module_pw/test/test1-1-1.cpp index a7ea166c66..3eb9d8fd5e 100644 --- a/source/module_basis/module_pw/test/test1-1-1.cpp +++ b/source/module_basis/module_pw/test/test1-1-1.cpp @@ -1,11 +1,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/global_function.h" -#include "module_base/constants.h" +#include "source_base/global_function.h" +#include "source_base/constants.h" #include "pw_test.h" extern int nproc_in_pool,rank_in_pool; using namespace std; diff --git a/source/module_basis/module_pw/test/test1-1-2.cpp b/source/module_basis/module_pw/test/test1-1-2.cpp index 4f9aa5ec6f..699d70c803 100644 --- a/source/module_basis/module_pw/test/test1-1-2.cpp +++ b/source/module_basis/module_pw/test/test1-1-2.cpp @@ -1,11 +1,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/global_function.h" -#include "module_base/constants.h" +#include "source_base/global_function.h" +#include "source_base/constants.h" #include "pw_test.h" extern int nproc_in_pool,rank_in_pool; using namespace std; diff --git a/source/module_basis/module_pw/test/test1-2-2.cpp b/source/module_basis/module_pw/test/test1-2-2.cpp index db5b9765fb..2470c0a38f 100644 --- a/source/module_basis/module_pw/test/test1-2-2.cpp +++ b/source/module_basis/module_pw/test/test1-2-2.cpp @@ -4,11 +4,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test1-2.cpp b/source/module_basis/module_pw/test/test1-2.cpp index 6f76590a81..add240917d 100644 --- a/source/module_basis/module_pw/test/test1-2.cpp +++ b/source/module_basis/module_pw/test/test1-2.cpp @@ -4,11 +4,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test1-3.cpp b/source/module_basis/module_pw/test/test1-3.cpp index bb2103212e..19323b1f78 100644 --- a/source/module_basis/module_pw/test/test1-3.cpp +++ b/source/module_basis/module_pw/test/test1-3.cpp @@ -4,11 +4,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test1-4.cpp b/source/module_basis/module_pw/test/test1-4.cpp index 4ea6ec5c9e..e2e0520a3d 100644 --- a/source/module_basis/module_pw/test/test1-4.cpp +++ b/source/module_basis/module_pw/test/test1-4.cpp @@ -4,11 +4,11 @@ #include "../pw_basis_k.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test1-5.cpp b/source/module_basis/module_pw/test/test1-5.cpp index 6729192d8a..7750694a14 100644 --- a/source/module_basis/module_pw/test/test1-5.cpp +++ b/source/module_basis/module_pw/test/test1-5.cpp @@ -4,11 +4,11 @@ #include "../pw_basis_k.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test2-1-1.cpp b/source/module_basis/module_pw/test/test2-1-1.cpp index a41e92a49b..57a70c6af3 100644 --- a/source/module_basis/module_pw/test/test2-1-1.cpp +++ b/source/module_basis/module_pw/test/test2-1-1.cpp @@ -1,11 +1,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/global_function.h" -#include "module_base/constants.h" +#include "source_base/global_function.h" +#include "source_base/constants.h" #include "pw_test.h" extern int nproc_in_pool,rank_in_pool; using namespace std; diff --git a/source/module_basis/module_pw/test/test2-1-2.cpp b/source/module_basis/module_pw/test/test2-1-2.cpp index 0a5713aabf..3824747800 100644 --- a/source/module_basis/module_pw/test/test2-1-2.cpp +++ b/source/module_basis/module_pw/test/test2-1-2.cpp @@ -1,11 +1,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/global_function.h" -#include "module_base/constants.h" +#include "source_base/global_function.h" +#include "source_base/constants.h" #include "pw_test.h" extern int nproc_in_pool,rank_in_pool; using namespace std; diff --git a/source/module_basis/module_pw/test/test2-2.cpp b/source/module_basis/module_pw/test/test2-2.cpp index 8ce6db3c1c..d9d6d7b8c3 100644 --- a/source/module_basis/module_pw/test/test2-2.cpp +++ b/source/module_basis/module_pw/test/test2-2.cpp @@ -4,11 +4,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test2-3.cpp b/source/module_basis/module_pw/test/test2-3.cpp index 5f1d1b0cb5..a611ac8ef3 100644 --- a/source/module_basis/module_pw/test/test2-3.cpp +++ b/source/module_basis/module_pw/test/test2-3.cpp @@ -4,11 +4,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test3-1.cpp b/source/module_basis/module_pw/test/test3-1.cpp index 800aa4dec6..33ac4f46b0 100644 --- a/source/module_basis/module_pw/test/test3-1.cpp +++ b/source/module_basis/module_pw/test/test3-1.cpp @@ -1,11 +1,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/global_function.h" -#include "module_base/constants.h" +#include "source_base/global_function.h" +#include "source_base/constants.h" #include "pw_test.h" extern int nproc_in_pool,rank_in_pool; using namespace std; diff --git a/source/module_basis/module_pw/test/test3-2.cpp b/source/module_basis/module_pw/test/test3-2.cpp index 9c667ab574..439fa2e811 100644 --- a/source/module_basis/module_pw/test/test3-2.cpp +++ b/source/module_basis/module_pw/test/test3-2.cpp @@ -4,11 +4,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test3-3-2.cpp b/source/module_basis/module_pw/test/test3-3-2.cpp index 46decccd20..e86555c5de 100644 --- a/source/module_basis/module_pw/test/test3-3-2.cpp +++ b/source/module_basis/module_pw/test/test3-3-2.cpp @@ -4,11 +4,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test3-3.cpp b/source/module_basis/module_pw/test/test3-3.cpp index 9195324892..fb6b471bf8 100644 --- a/source/module_basis/module_pw/test/test3-3.cpp +++ b/source/module_basis/module_pw/test/test3-3.cpp @@ -4,11 +4,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test4-1.cpp b/source/module_basis/module_pw/test/test4-1.cpp index 06c8a5d716..0e6e17c82d 100644 --- a/source/module_basis/module_pw/test/test4-1.cpp +++ b/source/module_basis/module_pw/test/test4-1.cpp @@ -1,11 +1,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/global_function.h" -#include "module_base/constants.h" +#include "source_base/global_function.h" +#include "source_base/constants.h" #include "pw_test.h" extern int nproc_in_pool,rank_in_pool; using namespace std; diff --git a/source/module_basis/module_pw/test/test4-2.cpp b/source/module_basis/module_pw/test/test4-2.cpp index e1941a4b2f..32c51be221 100644 --- a/source/module_basis/module_pw/test/test4-2.cpp +++ b/source/module_basis/module_pw/test/test4-2.cpp @@ -4,11 +4,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test4-3.cpp b/source/module_basis/module_pw/test/test4-3.cpp index 3700766743..a3e942bfc4 100644 --- a/source/module_basis/module_pw/test/test4-3.cpp +++ b/source/module_basis/module_pw/test/test4-3.cpp @@ -4,11 +4,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test4-4.cpp b/source/module_basis/module_pw/test/test4-4.cpp index 7eb0241318..cde571e91c 100644 --- a/source/module_basis/module_pw/test/test4-4.cpp +++ b/source/module_basis/module_pw/test/test4-4.cpp @@ -4,11 +4,11 @@ #include "../pw_basis_k.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test4-5.cpp b/source/module_basis/module_pw/test/test4-5.cpp index c2aea38c8c..22235eff81 100644 --- a/source/module_basis/module_pw/test/test4-5.cpp +++ b/source/module_basis/module_pw/test/test4-5.cpp @@ -4,11 +4,11 @@ #include "../pw_basis_k.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test5-1-1.cpp b/source/module_basis/module_pw/test/test5-1-1.cpp index f669733eee..1fb800d9e9 100644 --- a/source/module_basis/module_pw/test/test5-1-1.cpp +++ b/source/module_basis/module_pw/test/test5-1-1.cpp @@ -1,11 +1,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/global_function.h" -#include "module_base/constants.h" +#include "source_base/global_function.h" +#include "source_base/constants.h" #include "pw_test.h" extern int nproc_in_pool,rank_in_pool; using namespace std; diff --git a/source/module_basis/module_pw/test/test5-1-2.cpp b/source/module_basis/module_pw/test/test5-1-2.cpp index 77cec7c36a..50b6c17c49 100644 --- a/source/module_basis/module_pw/test/test5-1-2.cpp +++ b/source/module_basis/module_pw/test/test5-1-2.cpp @@ -1,11 +1,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/global_function.h" -#include "module_base/constants.h" +#include "source_base/global_function.h" +#include "source_base/constants.h" #include "pw_test.h" extern int nproc_in_pool,rank_in_pool; using namespace std; diff --git a/source/module_basis/module_pw/test/test5-2-1.cpp b/source/module_basis/module_pw/test/test5-2-1.cpp index fdc624522b..a05306285d 100644 --- a/source/module_basis/module_pw/test/test5-2-1.cpp +++ b/source/module_basis/module_pw/test/test5-2-1.cpp @@ -1,11 +1,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/global_function.h" -#include "module_base/constants.h" +#include "source_base/global_function.h" +#include "source_base/constants.h" #include "pw_test.h" extern int nproc_in_pool,rank_in_pool; using namespace std; diff --git a/source/module_basis/module_pw/test/test5-2-2.cpp b/source/module_basis/module_pw/test/test5-2-2.cpp index 530e27be2a..080a58af6f 100644 --- a/source/module_basis/module_pw/test/test5-2-2.cpp +++ b/source/module_basis/module_pw/test/test5-2-2.cpp @@ -1,11 +1,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/global_function.h" -#include "module_base/constants.h" +#include "source_base/global_function.h" +#include "source_base/constants.h" #include "pw_test.h" extern int nproc_in_pool,rank_in_pool; using namespace std; diff --git a/source/module_basis/module_pw/test/test5-3-1.cpp b/source/module_basis/module_pw/test/test5-3-1.cpp index 5ce5d80dea..29ff78927a 100644 --- a/source/module_basis/module_pw/test/test5-3-1.cpp +++ b/source/module_basis/module_pw/test/test5-3-1.cpp @@ -4,11 +4,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test5-4-1.cpp b/source/module_basis/module_pw/test/test5-4-1.cpp index ac6a38c1b8..6743e8b6e8 100644 --- a/source/module_basis/module_pw/test/test5-4-1.cpp +++ b/source/module_basis/module_pw/test/test5-4-1.cpp @@ -4,11 +4,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test5-4-2.cpp b/source/module_basis/module_pw/test/test5-4-2.cpp index 4aefc7e49d..b86b423715 100644 --- a/source/module_basis/module_pw/test/test5-4-2.cpp +++ b/source/module_basis/module_pw/test/test5-4-2.cpp @@ -4,11 +4,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test6-1-1.cpp b/source/module_basis/module_pw/test/test6-1-1.cpp index 904b120f62..d7cce63c82 100644 --- a/source/module_basis/module_pw/test/test6-1-1.cpp +++ b/source/module_basis/module_pw/test/test6-1-1.cpp @@ -1,11 +1,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/global_function.h" -#include "module_base/constants.h" +#include "source_base/global_function.h" +#include "source_base/constants.h" #include "pw_test.h" extern int nproc_in_pool,rank_in_pool; using namespace std; diff --git a/source/module_basis/module_pw/test/test6-1-2.cpp b/source/module_basis/module_pw/test/test6-1-2.cpp index f9434655c5..8aa431441c 100644 --- a/source/module_basis/module_pw/test/test6-1-2.cpp +++ b/source/module_basis/module_pw/test/test6-1-2.cpp @@ -1,11 +1,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/global_function.h" -#include "module_base/constants.h" +#include "source_base/global_function.h" +#include "source_base/constants.h" #include "pw_test.h" extern int nproc_in_pool,rank_in_pool; using namespace std; diff --git a/source/module_basis/module_pw/test/test6-2-1.cpp b/source/module_basis/module_pw/test/test6-2-1.cpp index 684c95d2e7..8473553e00 100644 --- a/source/module_basis/module_pw/test/test6-2-1.cpp +++ b/source/module_basis/module_pw/test/test6-2-1.cpp @@ -1,11 +1,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/global_function.h" -#include "module_base/constants.h" +#include "source_base/global_function.h" +#include "source_base/constants.h" #include "pw_test.h" extern int nproc_in_pool,rank_in_pool; using namespace std; diff --git a/source/module_basis/module_pw/test/test6-2-2.cpp b/source/module_basis/module_pw/test/test6-2-2.cpp index ae3fe8e337..87a8b19af1 100644 --- a/source/module_basis/module_pw/test/test6-2-2.cpp +++ b/source/module_basis/module_pw/test/test6-2-2.cpp @@ -1,11 +1,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/global_function.h" -#include "module_base/constants.h" +#include "source_base/global_function.h" +#include "source_base/constants.h" #include "pw_test.h" extern int nproc_in_pool,rank_in_pool; using namespace std; diff --git a/source/module_basis/module_pw/test/test6-3-1.cpp b/source/module_basis/module_pw/test/test6-3-1.cpp index 76e44d34f6..8531a230d5 100644 --- a/source/module_basis/module_pw/test/test6-3-1.cpp +++ b/source/module_basis/module_pw/test/test6-3-1.cpp @@ -4,11 +4,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test6-4-1.cpp b/source/module_basis/module_pw/test/test6-4-1.cpp index 646c662399..e87cd67d3b 100644 --- a/source/module_basis/module_pw/test/test6-4-1.cpp +++ b/source/module_basis/module_pw/test/test6-4-1.cpp @@ -4,11 +4,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test6-4-2.cpp b/source/module_basis/module_pw/test/test6-4-2.cpp index 3e8531bdb8..31d4c90e5e 100644 --- a/source/module_basis/module_pw/test/test6-4-2.cpp +++ b/source/module_basis/module_pw/test/test6-4-2.cpp @@ -4,11 +4,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test7-1.cpp b/source/module_basis/module_pw/test/test7-1.cpp index 7ec6630061..8492779792 100644 --- a/source/module_basis/module_pw/test/test7-1.cpp +++ b/source/module_basis/module_pw/test/test7-1.cpp @@ -1,11 +1,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/global_function.h" -#include "module_base/constants.h" +#include "source_base/global_function.h" +#include "source_base/constants.h" #include "pw_test.h" extern int nproc_in_pool,rank_in_pool; using namespace std; diff --git a/source/module_basis/module_pw/test/test7-2-1.cpp b/source/module_basis/module_pw/test/test7-2-1.cpp index d79768285c..50dac0fad8 100644 --- a/source/module_basis/module_pw/test/test7-2-1.cpp +++ b/source/module_basis/module_pw/test/test7-2-1.cpp @@ -4,11 +4,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test7-3-1.cpp b/source/module_basis/module_pw/test/test7-3-1.cpp index 7970368d74..10f13b7def 100644 --- a/source/module_basis/module_pw/test/test7-3-1.cpp +++ b/source/module_basis/module_pw/test/test7-3-1.cpp @@ -4,11 +4,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test7-3-2.cpp b/source/module_basis/module_pw/test/test7-3-2.cpp index 279efb21ce..66ed6cc6d8 100644 --- a/source/module_basis/module_pw/test/test7-3-2.cpp +++ b/source/module_basis/module_pw/test/test7-3-2.cpp @@ -4,11 +4,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test8-1.cpp b/source/module_basis/module_pw/test/test8-1.cpp index ee7e8dc985..0204e14fa4 100644 --- a/source/module_basis/module_pw/test/test8-1.cpp +++ b/source/module_basis/module_pw/test/test8-1.cpp @@ -1,11 +1,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/global_function.h" -#include "module_base/constants.h" +#include "source_base/global_function.h" +#include "source_base/constants.h" #include "pw_test.h" extern int nproc_in_pool,rank_in_pool; using namespace std; diff --git a/source/module_basis/module_pw/test/test8-2-1.cpp b/source/module_basis/module_pw/test/test8-2-1.cpp index 351c77e835..9f796162d2 100644 --- a/source/module_basis/module_pw/test/test8-2-1.cpp +++ b/source/module_basis/module_pw/test/test8-2-1.cpp @@ -4,11 +4,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test8-3-1.cpp b/source/module_basis/module_pw/test/test8-3-1.cpp index 6dbbb73f7c..b40dac1e21 100644 --- a/source/module_basis/module_pw/test/test8-3-1.cpp +++ b/source/module_basis/module_pw/test/test8-3-1.cpp @@ -4,11 +4,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test8-3-2.cpp b/source/module_basis/module_pw/test/test8-3-2.cpp index e60d878f6c..563cad8e85 100644 --- a/source/module_basis/module_pw/test/test8-3-2.cpp +++ b/source/module_basis/module_pw/test/test8-3-2.cpp @@ -4,11 +4,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test_sup.cpp b/source/module_basis/module_pw/test/test_sup.cpp index c3a10a85fc..188aabc4ed 100644 --- a/source/module_basis/module_pw/test/test_sup.cpp +++ b/source/module_basis/module_pw/test/test_sup.cpp @@ -1,11 +1,11 @@ #include "../pw_basis.h" #ifdef __MPI -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #include "test_tool.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" extern int nproc_in_pool, rank_in_pool; using namespace std; diff --git a/source/module_basis/module_pw/test_gpu/pw_basis_C2C.cpp b/source/module_basis/module_pw/test_gpu/pw_basis_C2C.cpp index 9ec1f00ce0..dab015bf51 100644 --- a/source/module_basis/module_pw/test_gpu/pw_basis_C2C.cpp +++ b/source/module_basis/module_pw/test_gpu/pw_basis_C2C.cpp @@ -1,7 +1,7 @@ #include "cuda_runtime.h" #include "fftw3.h" -#include "module_base/module_device/device.h" -#include "module_base/vector3.h" +#include "source_base/module_device/device.h" +#include "source_base/vector3.h" #include "module_basis/module_pw/pw_basis.h" #include "module_basis/module_pw/pw_basis_k.h" diff --git a/source/module_basis/module_pw/test_gpu/pw_basis_C2R.cpp b/source/module_basis/module_pw/test_gpu/pw_basis_C2R.cpp index 398805c2ef..635dfd2935 100644 --- a/source/module_basis/module_pw/test_gpu/pw_basis_C2R.cpp +++ b/source/module_basis/module_pw/test_gpu/pw_basis_C2R.cpp @@ -1,7 +1,7 @@ #include "cuda_runtime.h" #include "fftw3.h" -#include "module_base/module_device/device.h" -#include "module_base/vector3.h" +#include "source_base/module_device/device.h" +#include "source_base/vector3.h" #include "module_basis/module_pw/pw_basis.h" #include diff --git a/source/module_basis/module_pw/test_gpu/pw_basis_k_C2C.cpp b/source/module_basis/module_pw/test_gpu/pw_basis_k_C2C.cpp index fe215a0841..9772c6e2fa 100644 --- a/source/module_basis/module_pw/test_gpu/pw_basis_k_C2C.cpp +++ b/source/module_basis/module_pw/test_gpu/pw_basis_k_C2C.cpp @@ -1,7 +1,7 @@ #include "cuda_runtime.h" #include "fftw3.h" -#include "module_base/module_device/device.h" -#include "module_base/vector3.h" +#include "source_base/module_device/device.h" +#include "source_base/vector3.h" #include "module_basis/module_pw/pw_basis.h" #include "module_basis/module_pw/pw_basis_k.h" diff --git a/source/module_basis/module_pw/test_serial/pw_basis_k_test.cpp b/source/module_basis/module_pw/test_serial/pw_basis_k_test.cpp index 2b4b4fc6ce..84932bae2f 100644 --- a/source/module_basis/module_pw/test_serial/pw_basis_k_test.cpp +++ b/source/module_basis/module_pw/test_serial/pw_basis_k_test.cpp @@ -1,7 +1,7 @@ #include "gtest/gtest.h" -#include "module_base/global_function.h" -#include "module_base/constants.h" -#include "module_base/matrix3.h" +#include "source_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/matrix3.h" /************************************************ * serial unit test of functions in pw_basis.cpp diff --git a/source/module_basis/module_pw/test_serial/pw_basis_test.cpp b/source/module_basis/module_pw/test_serial/pw_basis_test.cpp index 0814263ef2..ea678b9d97 100644 --- a/source/module_basis/module_pw/test_serial/pw_basis_test.cpp +++ b/source/module_basis/module_pw/test_serial/pw_basis_test.cpp @@ -1,7 +1,7 @@ #include "gtest/gtest.h" -#include "module_base/global_function.h" -#include "module_base/constants.h" -#include "module_base/matrix3.h" +#include "source_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/matrix3.h" /************************************************ * serial unit test of functions in pw_basis.cpp diff --git a/source/module_cell/atom_pseudo.cpp b/source/module_cell/atom_pseudo.cpp index 0b6767f8ed..f4a6dae50d 100644 --- a/source/module_cell/atom_pseudo.cpp +++ b/source/module_cell/atom_pseudo.cpp @@ -142,7 +142,7 @@ void Atom_pseudo::set_d_so(ModuleBase::ComplexMatrix& d_so_in, return; } -#include "module_base/parallel_common.h" +#include "source_base/parallel_common.h" #ifdef __MPI void Atom_pseudo::bcast_atom_pseudo() diff --git a/source/module_cell/atom_pseudo.h b/source/module_cell/atom_pseudo.h index c02687c78f..356798d5fb 100644 --- a/source/module_cell/atom_pseudo.h +++ b/source/module_cell/atom_pseudo.h @@ -1,11 +1,11 @@ #ifndef ATOM_PSEUDO_H #define ATOM_PSEUDO_H -#include "module_base/global_variable.h" -#include "module_base/vector3.h" +#include "source_base/global_variable.h" +#include "source_base/vector3.h" #include "module_io/output.h" -#include "module_base/complexarray.h" -#include "module_base/complexmatrix.h" +#include "source_base/complexarray.h" +#include "source_base/complexmatrix.h" #include "pseudo.h" diff --git a/source/module_cell/atom_spec.cpp b/source/module_cell/atom_spec.cpp index db6e9086e5..6cf293c69e 100644 --- a/source/module_cell/atom_spec.cpp +++ b/source/module_cell/atom_spec.cpp @@ -73,7 +73,7 @@ void Atom::print_Atom(std::ofstream& ofs) return; } -#include "module_base/parallel_common.h" +#include "source_base/parallel_common.h" #ifdef __MPI void Atom::bcast_atom() { diff --git a/source/module_cell/bcast_cell.cpp b/source/module_cell/bcast_cell.cpp index bb07b54e82..d0863df131 100644 --- a/source/module_cell/bcast_cell.cpp +++ b/source/module_cell/bcast_cell.cpp @@ -1,5 +1,5 @@ #include "unitcell.h" -#include "module_base/parallel_common.h" +#include "source_base/parallel_common.h" #include "module_parameter/parameter.h" #ifdef __EXX #include "module_ri/serialization_cereal.h" diff --git a/source/module_cell/cell_index.cpp b/source/module_cell/cell_index.cpp index 3470d1ee82..75708dec76 100644 --- a/source/module_cell/cell_index.cpp +++ b/source/module_cell/cell_index.cpp @@ -1,7 +1,7 @@ #include "cell_index.h" -#include "module_base/name_angular.h" -#include "module_base/tool_quit.h" +#include "source_base/name_angular.h" +#include "source_base/tool_quit.h" #include CellIndex::CellIndex(const std::vector& atomLabels_in, diff --git a/source/module_cell/check_atomic_stru.cpp b/source/module_cell/check_atomic_stru.cpp index b22cfe985d..f2c55f7101 100644 --- a/source/module_cell/check_atomic_stru.cpp +++ b/source/module_cell/check_atomic_stru.cpp @@ -1,7 +1,7 @@ #include "check_atomic_stru.h" -#include "module_base/element_covalent_radius.h" -#include "module_base/timer.h" +#include "source_base/element_covalent_radius.h" +#include "source_base/timer.h" namespace unitcell { diff --git a/source/module_cell/k_vector_utils.cpp b/source/module_cell/k_vector_utils.cpp index a9dd7e7f56..db80488979 100644 --- a/source/module_cell/k_vector_utils.cpp +++ b/source/module_cell/k_vector_utils.cpp @@ -4,12 +4,12 @@ #include "k_vector_utils.h" #include "klist.h" -#include "module_base/global_variable.h" -#include "module_base/matrix3.h" +#include "source_base/global_variable.h" +#include "source_base/matrix3.h" -#include "module_base/formatter.h" -#include "module_base/parallel_common.h" -#include "module_base/parallel_reduce.h" +#include "source_base/formatter.h" +#include "source_base/parallel_common.h" +#include "source_base/parallel_reduce.h" #include "module_parameter/parameter.h" namespace KVectorUtils diff --git a/source/module_cell/k_vector_utils.h b/source/module_cell/k_vector_utils.h index c492a49ad0..0270ad9a47 100644 --- a/source/module_cell/k_vector_utils.h +++ b/source/module_cell/k_vector_utils.h @@ -5,8 +5,8 @@ #ifndef K_VECTOR_UTILS_H #define K_VECTOR_UTILS_H -#include "module_base/global_variable.h" -#include "module_base/matrix3.h" +#include "source_base/global_variable.h" +#include "source_base/matrix3.h" #include "module_cell/unitcell.h" class K_Vectors; diff --git a/source/module_cell/klist.cpp b/source/module_cell/klist.cpp index da5f9f16a0..3ae6984be9 100644 --- a/source/module_cell/klist.cpp +++ b/source/module_cell/klist.cpp @@ -1,11 +1,11 @@ #include "klist.h" #include "k_vector_utils.h" -#include "module_base/formatter.h" -#include "module_base/memory.h" -#include "module_base/parallel_common.h" -#include "module_base/parallel_global.h" -#include "module_base/parallel_reduce.h" +#include "source_base/formatter.h" +#include "source_base/memory.h" +#include "source_base/parallel_common.h" +#include "source_base/parallel_global.h" +#include "source_base/parallel_reduce.h" #include "module_cell/module_symmetry/symmetry.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_io/berryphase.h" diff --git a/source/module_cell/klist.h b/source/module_cell/klist.h index a832c1959f..6fe95624e4 100644 --- a/source/module_cell/klist.h +++ b/source/module_cell/klist.h @@ -1,9 +1,9 @@ #ifndef K_VECTORS_H #define K_VECTORS_H -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/matrix3.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/matrix3.h" #include "module_cell/unitcell.h" #include "parallel_kpoints.h" #include "k_vector_utils.h" diff --git a/source/module_cell/module_neighbor/sltk_atom.h b/source/module_cell/module_neighbor/sltk_atom.h index 76b4a8c314..94406417ae 100644 --- a/source/module_cell/module_neighbor/sltk_atom.h +++ b/source/module_cell/module_neighbor/sltk_atom.h @@ -3,7 +3,7 @@ #include #include "sltk_util.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include // a class contains the atom position, diff --git a/source/module_cell/module_neighbor/sltk_atom_arrange.cpp b/source/module_cell/module_neighbor/sltk_atom_arrange.cpp index 24c72a4a12..803382a0f6 100644 --- a/source/module_cell/module_neighbor/sltk_atom_arrange.cpp +++ b/source/module_cell/module_neighbor/sltk_atom_arrange.cpp @@ -1,6 +1,6 @@ #include "sltk_atom_arrange.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_parameter/parameter.h" #include "sltk_grid.h" #include "sltk_grid_driver.h" diff --git a/source/module_cell/module_neighbor/sltk_grid.cpp b/source/module_cell/module_neighbor/sltk_grid.cpp index 73ccbcf989..9b1d86b957 100644 --- a/source/module_cell/module_neighbor/sltk_grid.cpp +++ b/source/module_cell/module_neighbor/sltk_grid.cpp @@ -1,9 +1,9 @@ #include "sltk_grid.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/memory.h" -#include "module_base/timer.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/memory.h" +#include "source_base/timer.h" Grid::Grid(const int& test_grid_in) : test_grid(test_grid_in) { diff --git a/source/module_cell/module_neighbor/sltk_grid_driver.cpp b/source/module_cell/module_neighbor/sltk_grid_driver.cpp index 01aaf63bae..018318aade 100644 --- a/source/module_cell/module_neighbor/sltk_grid_driver.cpp +++ b/source/module_cell/module_neighbor/sltk_grid_driver.cpp @@ -1,8 +1,8 @@ #include "sltk_grid_driver.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/timer.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/timer.h" #include "module_parameter/parameter.h" #ifdef _OPENMP diff --git a/source/module_cell/module_neighbor/sltk_grid_driver.h b/source/module_cell/module_neighbor/sltk_grid_driver.h index 1316420a1e..686739d92e 100644 --- a/source/module_cell/module_neighbor/sltk_grid_driver.h +++ b/source/module_cell/module_neighbor/sltk_grid_driver.h @@ -1,9 +1,9 @@ #ifndef GRID_DRIVER_H #define GRID_DRIVER_H -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/vector3.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/vector3.h" #include "module_cell/unitcell.h" #include "module_hamilt_pw/hamilt_pwdft/structure_factor.h" #include "sltk_atom.h" diff --git a/source/module_cell/module_neighbor/test/prepare_unitcell.h b/source/module_cell/module_neighbor/test/prepare_unitcell.h index a494215b9c..7af6d01e90 100644 --- a/source/module_cell/module_neighbor/test/prepare_unitcell.h +++ b/source/module_cell/module_neighbor/test/prepare_unitcell.h @@ -2,7 +2,7 @@ #define PREPARE_UNITCELL_H #include #include -#include "module_base/mathzone.h" +#include "source_base/mathzone.h" class UcellTestPrepare { diff --git a/source/module_cell/module_symmetry/run_symmetry.cpp b/source/module_cell/module_symmetry/run_symmetry.cpp index 2eff5fb0ae..b950a805a7 100644 --- a/source/module_cell/module_symmetry/run_symmetry.cpp +++ b/source/module_cell/module_symmetry/run_symmetry.cpp @@ -3,8 +3,8 @@ #include #include #include "symmetry.h" -#include "module_base/global_variable.h" -#include "module_base/parallel_global.h" +#include "source_base/global_variable.h" +#include "source_base/parallel_global.h" void calculate(); diff --git a/source/module_cell/module_symmetry/symm_other.h b/source/module_cell/module_symmetry/symm_other.h index 8107d7f632..a2295ded18 100644 --- a/source/module_cell/module_symmetry/symm_other.h +++ b/source/module_cell/module_symmetry/symm_other.h @@ -1,8 +1,8 @@ #ifndef SYMM_OTHER_H #define SYMM_OTHER_H -#include "module_base/vector3.h" -#include "module_base/global_function.h" +#include "source_base/vector3.h" +#include "source_base/global_function.h" namespace ModuleSymmetry { namespace Symm_Other diff --git a/source/module_cell/module_symmetry/symm_rho.cpp b/source/module_cell/module_symmetry/symm_rho.cpp index 858054df23..0b5bac03b9 100644 --- a/source/module_cell/module_symmetry/symm_rho.cpp +++ b/source/module_cell/module_symmetry/symm_rho.cpp @@ -1,7 +1,7 @@ #include "symmetry.h" using namespace ModuleSymmetry; -#include "module_base/libm/libm.h" +#include "source_base/libm/libm.h" #include "module_parameter/parameter.h" void Symmetry::rho_symmetry( double *rho, diff --git a/source/module_cell/module_symmetry/symmetry.h b/source/module_cell/module_symmetry/symmetry.h index 748ca49d58..a8d9636405 100644 --- a/source/module_cell/module_symmetry/symmetry.h +++ b/source/module_cell/module_symmetry/symmetry.h @@ -3,9 +3,9 @@ #include "module_cell/unitcell_data.h" #include "module_cell/atom_spec.h" -#include "module_base/timer.h" -#include "module_base/mathzone.h" -#include "module_base/constants.h" +#include "source_base/timer.h" +#include "source_base/mathzone.h" +#include "source_base/constants.h" #include "module_io/output.h" #include "symmetry_basic.h" diff --git a/source/module_cell/module_symmetry/symmetry_basic.cpp b/source/module_cell/module_symmetry/symmetry_basic.cpp index dffa59f69d..955e2a2157 100644 --- a/source/module_cell/module_symmetry/symmetry_basic.cpp +++ b/source/module_cell/module_symmetry/symmetry_basic.cpp @@ -1,5 +1,5 @@ #include "symmetry.h" -#include "module_base/mymath.h" +#include "source_base/mymath.h" #include "module_parameter/parameter.h" bool ModuleSymmetry::test_brav = 0; diff --git a/source/module_cell/module_symmetry/symmetry_basic.h b/source/module_cell/module_symmetry/symmetry_basic.h index 5a2a5bf567..7308a20df9 100644 --- a/source/module_cell/module_symmetry/symmetry_basic.h +++ b/source/module_cell/module_symmetry/symmetry_basic.h @@ -5,9 +5,9 @@ #ifndef SYMMETRY_BASIC_H #define SYMMETRY_BASIC_H #include "symm_other.h" -#include "module_base/mymath.h" -#include "module_base/ylm.h" -#include "module_base/matrix3.h" +#include "source_base/mymath.h" +#include "source_base/ylm.h" +#include "source_base/matrix3.h" namespace ModuleSymmetry { class Symmetry_Basic diff --git a/source/module_cell/module_symmetry/test/symmetry_test.h b/source/module_cell/module_symmetry/test/symmetry_test.h index f50e045ff3..e22a3b73a3 100644 --- a/source/module_cell/module_symmetry/test/symmetry_test.h +++ b/source/module_cell/module_symmetry/test/symmetry_test.h @@ -1,5 +1,5 @@ #pragma once -#include "module_base/mathzone.h" +#include "source_base/mathzone.h" #include "module_cell/unitcell.h" #include "gtest/gtest.h" diff --git a/source/module_cell/parallel_kpoints.cpp b/source/module_cell/parallel_kpoints.cpp index a0351e6560..2ca14090fb 100644 --- a/source/module_cell/parallel_kpoints.cpp +++ b/source/module_cell/parallel_kpoints.cpp @@ -1,7 +1,7 @@ #include "parallel_kpoints.h" -#include "module_base/parallel_common.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_common.h" +#include "source_base/parallel_global.h" // the kpoints here are reduced after symmetry applied. void Parallel_Kpoints::kinfo(int& nkstot_in, diff --git a/source/module_cell/parallel_kpoints.h b/source/module_cell/parallel_kpoints.h index 971a2849f2..f29ae540fb 100644 --- a/source/module_cell/parallel_kpoints.h +++ b/source/module_cell/parallel_kpoints.h @@ -1,10 +1,10 @@ #ifndef PARALLEL_KPOINTS_H #define PARALLEL_KPOINTS_H -#include "module_base/complexarray.h" -#include "module_base/global_function.h" -#include "module_base/realarray.h" -#include "module_base/vector3.h" +#include "source_base/complexarray.h" +#include "source_base/global_function.h" +#include "source_base/realarray.h" +#include "source_base/vector3.h" class Parallel_Kpoints { diff --git a/source/module_cell/print_cell.cpp b/source/module_cell/print_cell.cpp index 3ad653ee83..5580f28f23 100644 --- a/source/module_cell/print_cell.cpp +++ b/source/module_cell/print_cell.cpp @@ -2,9 +2,9 @@ #include #include "print_cell.h" -#include "module_base/formatter.h" -#include "module_base/tool_title.h" -#include "module_base/global_variable.h" +#include "source_base/formatter.h" +#include "source_base/tool_title.h" +#include "source_base/global_variable.h" namespace unitcell { diff --git a/source/module_cell/pseudo.cpp b/source/module_cell/pseudo.cpp index 7743e45447..e3124bbf4d 100644 --- a/source/module_cell/pseudo.cpp +++ b/source/module_cell/pseudo.cpp @@ -1,5 +1,5 @@ #include "pseudo.h" -#include "module_base/tool_title.h" +#include "source_base/tool_title.h" pseudo::pseudo() { diff --git a/source/module_cell/pseudo.h b/source/module_cell/pseudo.h index 22af587557..8613a49252 100644 --- a/source/module_cell/pseudo.h +++ b/source/module_cell/pseudo.h @@ -1,7 +1,7 @@ #ifndef PSEUDO_H #define PSEUDO_H -#include "module_base/global_function.h" +#include "source_base/global_function.h" #include "module_io/output.h" //----------------------------------------- diff --git a/source/module_cell/read_atom_species.cpp b/source/module_cell/read_atom_species.cpp index a969826bee..1ff82d3667 100644 --- a/source/module_cell/read_atom_species.cpp +++ b/source/module_cell/read_atom_species.cpp @@ -1,7 +1,7 @@ #include "read_stru.h" #include "module_parameter/parameter.h" -#include "module_base/tool_title.h" +#include "source_base/tool_title.h" #ifdef __EXX #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_ri/serialization_cereal.h" diff --git a/source/module_cell/read_atoms.cpp b/source/module_cell/read_atoms.cpp index 2db4f1f616..b2b729ce1f 100644 --- a/source/module_cell/read_atoms.cpp +++ b/source/module_cell/read_atoms.cpp @@ -8,11 +8,11 @@ #include "module_cell/print_cell.h" #include "module_cell/read_stru.h" #include "module_elecstate/read_orb.h" -#include "module_base/timer.h" -#include "module_base/constants.h" +#include "source_base/timer.h" +#include "source_base/constants.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" -#include "module_base/formatter.h" -#include "module_base/mathzone.h" +#include "source_base/formatter.h" +#include "source_base/mathzone.h" #ifdef __LCAO #include "module_basis/module_ao/ORB_read.h" // to use 'ORB' -- mohan 2021-01-30 diff --git a/source/module_cell/read_pp.cpp b/source/module_cell/read_pp.cpp index c6bb4ab208..99c1c96d3a 100644 --- a/source/module_cell/read_pp.cpp +++ b/source/module_cell/read_pp.cpp @@ -9,7 +9,7 @@ #include #include -#include "module_base/math_integral.h" // for numerical integration +#include "source_base/math_integral.h" // for numerical integration Pseudopot_upf::Pseudopot_upf() { diff --git a/source/module_cell/read_pp.h b/source/module_cell/read_pp.h index 6029269639..1290950e92 100644 --- a/source/module_cell/read_pp.h +++ b/source/module_cell/read_pp.h @@ -4,8 +4,8 @@ #include #include "atom_pseudo.h" -#include "module_base/matrix.h" -#include "module_base/realarray.h" +#include "source_base/matrix.h" +#include "source_base/realarray.h" class Pseudopot_upf { diff --git a/source/module_cell/read_pp_blps.cpp b/source/module_cell/read_pp_blps.cpp index 222565da19..682f39dfdc 100644 --- a/source/module_cell/read_pp_blps.cpp +++ b/source/module_cell/read_pp_blps.cpp @@ -1,6 +1,6 @@ #include "read_pp.h" -#include "module_base/atom_in.h" -#include "module_base/element_name.h" +#include "source_base/atom_in.h" +#include "source_base/element_name.h" int Pseudopot_upf::read_pseudo_blps(std::ifstream &ifs, Atom_pseudo& pp) { diff --git a/source/module_cell/read_stru.cpp b/source/module_cell/read_stru.cpp index 8cba080427..d1d3141072 100644 --- a/source/module_cell/read_stru.cpp +++ b/source/module_cell/read_stru.cpp @@ -1,7 +1,7 @@ #include "read_stru.h" -#include "module_base/timer.h" -#include "module_base/vector3.h" -#include "module_base/mathzone.h" +#include "source_base/timer.h" +#include "source_base/vector3.h" +#include "source_base/mathzone.h" bool unitcell::check_tau(const Atom* atoms, const int& ntype, diff --git a/source/module_cell/setup_nonlocal.cpp b/source/module_cell/setup_nonlocal.cpp index c31557e25e..5a31200b17 100644 --- a/source/module_cell/setup_nonlocal.cpp +++ b/source/module_cell/setup_nonlocal.cpp @@ -1,6 +1,6 @@ #include "setup_nonlocal.h" -#include "module_base/parallel_common.h" +#include "source_base/parallel_common.h" #include "module_parameter/parameter.h" #ifdef __LCAO @@ -22,7 +22,7 @@ InfoNonlocal::~InfoNonlocal() delete[] nproj; } -#include "../module_base/complexmatrix.h" +#include "../source_base/complexmatrix.h" void InfoNonlocal::Set_NonLocal(const int& it, Atom* atom, int& n_projectors, diff --git a/source/module_cell/setup_nonlocal.h b/source/module_cell/setup_nonlocal.h index eef458968d..85139282a6 100644 --- a/source/module_cell/setup_nonlocal.h +++ b/source/module_cell/setup_nonlocal.h @@ -2,8 +2,8 @@ #define INFONONLOCAL_H #include "atom_spec.h" -#include "../module_base/global_function.h" -#include "../module_base/global_variable.h" +#include "../source_base/global_function.h" +#include "../source_base/global_variable.h" #include "../module_basis/module_ao/ORB_nonlocal.h" #include "../module_basis/module_ao/ORB_read.h" class InfoNonlocal diff --git a/source/module_cell/test/CMakeLists.txt b/source/module_cell/test/CMakeLists.txt index 149b394bcc..d0a207aaa9 100644 --- a/source/module_cell/test/CMakeLists.txt +++ b/source/module_cell/test/CMakeLists.txt @@ -85,8 +85,8 @@ add_test(NAME MODULE_CELL_klist_test_para4 AddTest( TARGET MODULE_CELL_ParaKpoints LIBS parameter MPI::MPI_CXX - SOURCES parallel_kpoints_test.cpp ../../module_base/global_variable.cpp ../../module_base/parallel_global.cpp - ../../module_base/parallel_common.cpp ../../module_base/parallel_comm.cpp ../parallel_kpoints.cpp + SOURCES parallel_kpoints_test.cpp ../../source_base/global_variable.cpp ../../source_base/parallel_global.cpp + ../../source_base/parallel_common.cpp ../../source_base/parallel_comm.cpp ../parallel_kpoints.cpp ) find_program(BASH bash) diff --git a/source/module_cell/test/klist_test.cpp b/source/module_cell/test/klist_test.cpp index 3bedf060fc..0185b2392e 100644 --- a/source/module_cell/test/klist_test.cpp +++ b/source/module_cell/test/klist_test.cpp @@ -18,8 +18,8 @@ #include "module_io/berryphase.h" #include "module_parameter/parameter.h" #undef private -#include "module_base/mathzone.h" -#include "module_base/parallel_global.h" +#include "source_base/mathzone.h" +#include "source_base/parallel_global.h" #include "module_cell/parallel_kpoints.h" bool berryphase::berry_phase_flag = false; diff --git a/source/module_cell/test/klist_test_para.cpp b/source/module_cell/test/klist_test_para.cpp index f7cb12fec1..eee2da85c3 100644 --- a/source/module_cell/test/klist_test_para.cpp +++ b/source/module_cell/test/klist_test_para.cpp @@ -1,5 +1,5 @@ -#include "module_base/mathzone.h" -#include "module_base/parallel_global.h" +#include "source_base/mathzone.h" +#include "source_base/parallel_global.h" #define private public #include "module_parameter/parameter.h" #undef private diff --git a/source/module_cell/test/parallel_kpoints_test.cpp b/source/module_cell/test/parallel_kpoints_test.cpp index f5b82ecfd5..26abbf1815 100644 --- a/source/module_cell/test/parallel_kpoints_test.cpp +++ b/source/module_cell/test/parallel_kpoints_test.cpp @@ -1,5 +1,5 @@ #ifdef __MPI -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "gmock/gmock.h" #include "gtest/gtest.h" diff --git a/source/module_cell/test/unitcell_test.cpp b/source/module_cell/test/unitcell_test.cpp index 11c10d15fc..78c988b853 100644 --- a/source/module_cell/test/unitcell_test.cpp +++ b/source/module_cell/test/unitcell_test.cpp @@ -10,8 +10,8 @@ #include "module_cell/print_cell.h" #include "memory" #include "module_cell/read_stru.h" -#include "module_base/global_variable.h" -#include "module_base/mathzone.h" +#include "source_base/global_variable.h" +#include "source_base/mathzone.h" #include "prepare_unitcell.h" #include "module_cell/update_cell.h" #include "module_cell/read_stru.h" diff --git a/source/module_cell/test/unitcell_test_para.cpp b/source/module_cell/test/unitcell_test_para.cpp index 4a9319fd81..f776ba016c 100644 --- a/source/module_cell/test/unitcell_test_para.cpp +++ b/source/module_cell/test/unitcell_test_para.cpp @@ -4,8 +4,8 @@ #include "module_parameter/parameter.h" #undef private #include "memory" -#include "module_base/global_variable.h" -#include "module_base/mathzone.h" +#include "source_base/global_variable.h" +#include "source_base/mathzone.h" #include "module_cell/unitcell.h" #include "module_elecstate/read_pseudo.h" #include diff --git a/source/module_cell/test/unitcell_test_readpp.cpp b/source/module_cell/test/unitcell_test_readpp.cpp index 980da0b6a9..1b8ce61f4c 100644 --- a/source/module_cell/test/unitcell_test_readpp.cpp +++ b/source/module_cell/test/unitcell_test_readpp.cpp @@ -4,8 +4,8 @@ #include "module_parameter/parameter.h" #undef private #include "memory" -#include "module_base/global_variable.h" -#include "module_base/mathzone.h" +#include "source_base/global_variable.h" +#include "source_base/mathzone.h" #include "module_cell/check_atomic_stru.h" #include "module_cell/unitcell.h" #include "module_elecstate/read_pseudo.h" diff --git a/source/module_cell/test/unitcell_test_setupcell.cpp b/source/module_cell/test/unitcell_test_setupcell.cpp index 383a9d0312..6d3cd3df35 100644 --- a/source/module_cell/test/unitcell_test_setupcell.cpp +++ b/source/module_cell/test/unitcell_test_setupcell.cpp @@ -4,8 +4,8 @@ #include "module_parameter/parameter.h" #undef private #include "memory" -#include "module_base/mathzone.h" -#include "module_base/global_variable.h" +#include "source_base/mathzone.h" +#include "source_base/global_variable.h" #include "module_cell/unitcell.h" #include #include diff --git a/source/module_cell/test_pw/unitcell_test_pw.cpp b/source/module_cell/test_pw/unitcell_test_pw.cpp index d0d1307e9c..e7af4db5e3 100644 --- a/source/module_cell/test_pw/unitcell_test_pw.cpp +++ b/source/module_cell/test_pw/unitcell_test_pw.cpp @@ -4,8 +4,8 @@ #include "module_parameter/parameter.h" #undef private #include "memory" -#include "module_base/mathzone.h" -#include "module_base/global_variable.h" +#include "source_base/mathzone.h" +#include "source_base/global_variable.h" #include "module_cell/unitcell.h" #include "module_cell/read_stru.h" #include diff --git a/source/module_cell/unitcell.cpp b/source/module_cell/unitcell.cpp index 53c686a326..20cc905d29 100755 --- a/source/module_cell/unitcell.cpp +++ b/source/module_cell/unitcell.cpp @@ -1,17 +1,17 @@ #include #include // Peize Lin fix bug about strcmp 2016-08-02 -#include "module_base/constants.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" #include "unitcell.h" #include "bcast_cell.h" #include "module_parameter/parameter.h" #include "module_cell/read_stru.h" -#include "module_base/atom_in.h" -#include "module_base/element_elec_config.h" -#include "module_base/global_file.h" -#include "module_base/parallel_common.h" +#include "source_base/atom_in.h" +#include "source_base/element_elec_config.h" +#include "source_base/global_file.h" +#include "source_base/parallel_common.h" #include "module_parameter/parameter.h" #ifdef __MPI diff --git a/source/module_cell/unitcell.h b/source/module_cell/unitcell.h index e7b3e3bdcf..552b031850 100644 --- a/source/module_cell/unitcell.h +++ b/source/module_cell/unitcell.h @@ -1,8 +1,8 @@ #ifndef UNITCELL_H #define UNITCELL_H -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" #include "module_elecstate/magnetism.h" #include "module_io/output.h" #include "module_symmetry/symmetry.h" diff --git a/source/module_cell/unitcell_data.h b/source/module_cell/unitcell_data.h index 09aab0a0dc..c93c469866 100644 --- a/source/module_cell/unitcell_data.h +++ b/source/module_cell/unitcell_data.h @@ -1,8 +1,8 @@ #ifndef UNITCELL_DATA_H #define UNITCELL_DATA_H -#include "module_base/intarray.h" -#include "module_base/matrix3.h" +#include "source_base/intarray.h" +#include "source_base/matrix3.h" /// @brief info of lattice struct Lattice { diff --git a/source/module_cell/update_cell.cpp b/source/module_cell/update_cell.cpp index ca8abbc0f1..723f765d31 100644 --- a/source/module_cell/update_cell.cpp +++ b/source/module_cell/update_cell.cpp @@ -1,6 +1,6 @@ #include "update_cell.h" #include "bcast_cell.h" -#include "module_base/global_function.h" +#include "source_base/global_function.h" namespace unitcell { void remake_cell(Lattice& lat) diff --git a/source/module_elecstate/cal_dm.h b/source/module_elecstate/cal_dm.h index 99815b296b..b241791a1a 100644 --- a/source/module_elecstate/cal_dm.h +++ b/source/module_elecstate/cal_dm.h @@ -2,9 +2,9 @@ #define CAL_DM_H #include "math_tools.h" -#include "module_base/timer.h" -#include "module_base/matrix.h" -#include "module_base/complexmatrix.h" +#include "source_base/timer.h" +#include "source_base/matrix.h" +#include "source_base/complexmatrix.h" namespace elecstate { diff --git a/source/module_elecstate/cal_nelec_nband.cpp b/source/module_elecstate/cal_nelec_nband.cpp index 4e70415707..cd956ac474 100644 --- a/source/module_elecstate/cal_nelec_nband.cpp +++ b/source/module_elecstate/cal_nelec_nband.cpp @@ -1,5 +1,5 @@ #include "cal_nelec_nband.h" -#include "module_base/constants.h" +#include "source_base/constants.h" #include "module_parameter/parameter.h" namespace elecstate { diff --git a/source/module_elecstate/elecstate.cpp b/source/module_elecstate/elecstate.cpp index ee4857afd8..74a9154cea 100644 --- a/source/module_elecstate/elecstate.cpp +++ b/source/module_elecstate/elecstate.cpp @@ -1,10 +1,10 @@ #include "elecstate.h" #include "module_parameter/parameter.h" -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" #include "module_parameter/parameter.h" -#include "module_base/memory.h" -#include "module_base/parallel_reduce.h" -#include "module_base/tool_title.h" +#include "source_base/memory.h" +#include "source_base/parallel_reduce.h" +#include "source_base/tool_title.h" #include "occupy.h" namespace elecstate diff --git a/source/module_elecstate/elecstate_energy.cpp b/source/module_elecstate/elecstate_energy.cpp index d7b4f7ed10..cfa3d97332 100644 --- a/source/module_elecstate/elecstate_energy.cpp +++ b/source/module_elecstate/elecstate_energy.cpp @@ -1,6 +1,6 @@ #include "elecstate.h" -#include "module_base/global_variable.h" -#include "module_base/parallel_reduce.h" +#include "source_base/global_variable.h" +#include "source_base/parallel_reduce.h" #include "module_hamilt_general/module_xc/xc_functional.h" #include "module_parameter/parameter.h" diff --git a/source/module_elecstate/elecstate_lcao.cpp b/source/module_elecstate/elecstate_lcao.cpp index efa7b1d76b..8836775fac 100644 --- a/source/module_elecstate/elecstate_lcao.cpp +++ b/source/module_elecstate/elecstate_lcao.cpp @@ -1,7 +1,7 @@ #include "elecstate_lcao.h" #include "cal_dm.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_elecstate/module_dm/cal_dm_psi.h" #include "module_hamilt_general/module_xc/xc_functional.h" #include "module_hamilt_lcao/module_deltaspin/spin_constrain.h" diff --git a/source/module_elecstate/elecstate_lcao_cal_tau.cpp b/source/module_elecstate/elecstate_lcao_cal_tau.cpp index 9f2c0bd40b..d07aeba678 100644 --- a/source/module_elecstate/elecstate_lcao_cal_tau.cpp +++ b/source/module_elecstate/elecstate_lcao_cal_tau.cpp @@ -1,7 +1,7 @@ #include "elecstate_lcao.h" #include "module_hamilt_lcao/module_gint/temp_gint/gint_interface.h" -#include "module_base/timer.h" +#include "source_base/timer.h" namespace elecstate { diff --git a/source/module_elecstate/elecstate_print.cpp b/source/module_elecstate/elecstate_print.cpp index 0a31f58fff..da168a73db 100644 --- a/source/module_elecstate/elecstate_print.cpp +++ b/source/module_elecstate/elecstate_print.cpp @@ -1,7 +1,7 @@ #include "elecstate.h" -#include "module_base/formatter.h" -#include "module_base/global_variable.h" -#include "module_base/parallel_common.h" +#include "source_base/formatter.h" +#include "source_base/global_variable.h" +#include "source_base/parallel_common.h" #include "module_elecstate/module_pot/H_Hartree_pw.h" #include "module_elecstate/module_pot/efield.h" #include "module_elecstate/module_pot/gatefield.h" diff --git a/source/module_elecstate/elecstate_pw.cpp b/source/module_elecstate/elecstate_pw.cpp index ef7a168752..86f0945e51 100644 --- a/source/module_elecstate/elecstate_pw.cpp +++ b/source/module_elecstate/elecstate_pw.cpp @@ -1,11 +1,11 @@ #include "elecstate_pw.h" -#include "module_base/constants.h" -#include "module_base/libm/libm.h" -#include "module_base/math_ylmreal.h" -#include "module_base/module_device/device.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" +#include "source_base/constants.h" +#include "source_base/libm/libm.h" +#include "source_base/math_ylmreal.h" +#include "source_base/module_device/device.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" #include "module_hamilt_general/module_xc/xc_functional.h" #include "module_parameter/parameter.h" diff --git a/source/module_elecstate/elecstate_pw.h b/source/module_elecstate/elecstate_pw.h index 6007c8a4fe..68691de07b 100644 --- a/source/module_elecstate/elecstate_pw.h +++ b/source/module_elecstate/elecstate_pw.h @@ -1,13 +1,13 @@ #ifndef ELECSTATEPW_H #define ELECSTATEPW_H -#include +#include #include "elecstate.h" #include "module_basis/module_pw/pw_basis_k.h" #include "module_elecstate/kernels/elecstate_op.h" #include "module_hamilt_pw/hamilt_pwdft/kernels/meta_op.h" -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/kernels/math_kernel_op.h" namespace elecstate { diff --git a/source/module_elecstate/elecstate_pw_sdft.cpp b/source/module_elecstate/elecstate_pw_sdft.cpp index 269efc06f2..101428d2b8 100644 --- a/source/module_elecstate/elecstate_pw_sdft.cpp +++ b/source/module_elecstate/elecstate_pw_sdft.cpp @@ -1,8 +1,8 @@ #include "./elecstate_pw_sdft.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/timer.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/timer.h" #include "module_hamilt_general/module_xc/xc_functional.h" #include "module_parameter/parameter.h" namespace elecstate diff --git a/source/module_elecstate/elecstate_tools.h b/source/module_elecstate/elecstate_tools.h index 884217f778..6d144ab91b 100644 --- a/source/module_elecstate/elecstate_tools.h +++ b/source/module_elecstate/elecstate_tools.h @@ -1,7 +1,7 @@ #ifndef ELECSTATE_TOOLS_H #define ELECSTATE_TOOLS_H #include "elecstate.h" -#include "module_base/matrix.h" +#include "source_base/matrix.h" namespace elecstate { diff --git a/source/module_elecstate/fp_energy.cpp b/source/module_elecstate/fp_energy.cpp index 3218f3aae0..6f90fc8c31 100644 --- a/source/module_elecstate/fp_energy.cpp +++ b/source/module_elecstate/fp_energy.cpp @@ -1,10 +1,10 @@ #include "fp_energy.h" #include "module_parameter/parameter.h" -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" -#include "module_base/tool_quit.h" +#include "source_base/tool_quit.h" #include #include diff --git a/source/module_elecstate/kernels/test/elecstate_op_test.cpp b/source/module_elecstate/kernels/test/elecstate_op_test.cpp index 973df83cea..b7c9ee9857 100644 --- a/source/module_elecstate/kernels/test/elecstate_op_test.cpp +++ b/source/module_elecstate/kernels/test/elecstate_op_test.cpp @@ -1,6 +1,6 @@ #include "module_elecstate/kernels/elecstate_op.h" -#include "module_base/module_device/memory_op.h" +#include "source_base/module_device/memory_op.h" #include #include diff --git a/source/module_elecstate/magnetism.cpp b/source/module_elecstate/magnetism.cpp index 8a0090484f..2ed58de787 100644 --- a/source/module_elecstate/magnetism.cpp +++ b/source/module_elecstate/magnetism.cpp @@ -1,6 +1,6 @@ #include "magnetism.h" -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_reduce.h" #include "module_parameter/parameter.h" //#include "module_elecstate/module_charge/charge.h" diff --git a/source/module_elecstate/magnetism.h b/source/module_elecstate/magnetism.h index c6bd9ed96c..061ec415e7 100644 --- a/source/module_elecstate/magnetism.h +++ b/source/module_elecstate/magnetism.h @@ -1,9 +1,9 @@ #ifndef MAGNETISM_H #define MAGNETISM_H -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/vector3.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/vector3.h" class Magnetism { diff --git a/source/module_elecstate/math_tools.h b/source/module_elecstate/math_tools.h index 3798c4df0f..70560c8ced 100644 --- a/source/module_elecstate/math_tools.h +++ b/source/module_elecstate/math_tools.h @@ -1,9 +1,9 @@ -#include "module_base/blas_connector.h" -#include "module_base/complexmatrix.h" -#include "module_base/matrix.h" -#include "module_base/scalapack_connector.h" +#include "source_base/blas_connector.h" +#include "source_base/complexmatrix.h" +#include "source_base/matrix.h" +#include "source_base/scalapack_connector.h" #include "module_psi/psi.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #ifdef __MPI inline void psiMulPsiMpi(const psi::Psi& psi1, diff --git a/source/module_elecstate/module_charge/charge.cpp b/source/module_elecstate/module_charge/charge.cpp index 252b336af6..e808606b1b 100644 --- a/source/module_elecstate/module_charge/charge.cpp +++ b/source/module_elecstate/module_charge/charge.cpp @@ -18,14 +18,14 @@ //---------------------------------------------------------- #include "charge.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/libm/libm.h" -#include "module_base/math_integral.h" -#include "module_base/memory.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" -#include "module_base/tool_threading.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/libm/libm.h" +#include "source_base/math_integral.h" +#include "source_base/memory.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" +#include "source_base/tool_threading.h" #include "module_cell/unitcell.h" #include "module_elecstate/magnetism.h" #include "module_hamilt_general/module_xc/xc_functional.h" diff --git a/source/module_elecstate/module_charge/charge.h b/source/module_elecstate/module_charge/charge.h index 1a2c874fd7..8cad838e85 100644 --- a/source/module_elecstate/module_charge/charge.h +++ b/source/module_elecstate/module_charge/charge.h @@ -1,10 +1,10 @@ #ifndef CHARGE_H #define CHARGE_H -#include "module_base/complexmatrix.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/parallel_global.h" +#include "source_base/complexmatrix.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/parallel_global.h" #include "module_basis/module_pw/pw_basis.h" #include "module_cell/module_symmetry/symmetry.h" #include "module_elecstate/fp_energy.h" diff --git a/source/module_elecstate/module_charge/charge_extra.cpp b/source/module_elecstate/module_charge/charge_extra.cpp index 35b5b2a1e0..b0e5a94ee7 100644 --- a/source/module_elecstate/module_charge/charge_extra.cpp +++ b/source/module_elecstate/module_charge/charge_extra.cpp @@ -1,9 +1,9 @@ #include "charge_extra.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/timer.h" -#include "module_base/tool_threading.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/timer.h" +#include "source_base/tool_threading.h" #include "module_io/cube_io.h" Charge_Extra::Charge_Extra() diff --git a/source/module_elecstate/module_charge/charge_init.cpp b/source/module_elecstate/module_charge/charge_init.cpp index cb73ad5a86..6feaa17c11 100644 --- a/source/module_elecstate/module_charge/charge_init.cpp +++ b/source/module_elecstate/module_charge/charge_init.cpp @@ -1,16 +1,16 @@ #include #include "charge.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" #include "module_parameter/parameter.h" -#include "module_base/libm/libm.h" -#include "module_base/math_integral.h" -#include "module_base/math_sphbes.h" -#include "module_base/memory.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" -#include "module_base/tool_threading.h" +#include "source_base/libm/libm.h" +#include "source_base/math_integral.h" +#include "source_base/math_sphbes.h" +#include "source_base/memory.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" +#include "source_base/tool_threading.h" #include "module_elecstate/magnetism.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_hamilt_pw/hamilt_pwdft/parallel_grid.h" diff --git a/source/module_elecstate/module_charge/charge_mixing.cpp b/source/module_elecstate/module_charge/charge_mixing.cpp index e6e7d7f0ef..40fa49e8da 100644 --- a/source/module_elecstate/module_charge/charge_mixing.cpp +++ b/source/module_elecstate/module_charge/charge_mixing.cpp @@ -1,9 +1,9 @@ #include "charge_mixing.h" #include "module_parameter/parameter.h" -#include "module_base/module_mixing/broyden_mixing.h" -#include "module_base/module_mixing/pulay_mixing.h" -#include "module_base/timer.h" +#include "source_base/module_mixing/broyden_mixing.h" +#include "source_base/module_mixing/pulay_mixing.h" +#include "source_base/timer.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" Charge_Mixing::Charge_Mixing() diff --git a/source/module_elecstate/module_charge/charge_mixing.h b/source/module_elecstate/module_charge/charge_mixing.h index d6fdbc2586..b7df52a762 100644 --- a/source/module_elecstate/module_charge/charge_mixing.h +++ b/source/module_elecstate/module_charge/charge_mixing.h @@ -2,8 +2,8 @@ #define CHARGE_MIXING_H #include "charge.h" #include "module_elecstate/module_dm/density_matrix.h" -#include "module_base/module_mixing/mixing.h" -#include "module_base/module_mixing/plain_mixing.h" +#include "source_base/module_mixing/mixing.h" +#include "source_base/module_mixing/plain_mixing.h" class Charge_Mixing { diff --git a/source/module_elecstate/module_charge/charge_mixing_dmr.cpp b/source/module_elecstate/module_charge/charge_mixing_dmr.cpp index 516e489d68..0c000bd876 100644 --- a/source/module_elecstate/module_charge/charge_mixing_dmr.cpp +++ b/source/module_elecstate/module_charge/charge_mixing_dmr.cpp @@ -1,7 +1,7 @@ #include "charge_mixing.h" #include "module_parameter/parameter.h" -#include "module_base/timer.h" +#include "source_base/timer.h" void Charge_Mixing::allocate_mixing_dmr(const int nnr) { diff --git a/source/module_elecstate/module_charge/charge_mixing_preconditioner.cpp b/source/module_elecstate/module_charge/charge_mixing_preconditioner.cpp index ad8ea3801b..cc17d8c639 100644 --- a/source/module_elecstate/module_charge/charge_mixing_preconditioner.cpp +++ b/source/module_elecstate/module_charge/charge_mixing_preconditioner.cpp @@ -1,7 +1,7 @@ #include "charge_mixing.h" #include "module_parameter/parameter.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" void Charge_Mixing::Kerker_screen_recip(std::complex* drhog) diff --git a/source/module_elecstate/module_charge/charge_mixing_residual.cpp b/source/module_elecstate/module_charge/charge_mixing_residual.cpp index b195f1c790..f2b85cbc03 100644 --- a/source/module_elecstate/module_charge/charge_mixing_residual.cpp +++ b/source/module_elecstate/module_charge/charge_mixing_residual.cpp @@ -1,9 +1,9 @@ #include "charge_mixing.h" #include "module_parameter/parameter.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_reduce.h" double Charge_Mixing::get_drho(Charge* chr, const double nelec) { diff --git a/source/module_elecstate/module_charge/charge_mixing_rho.cpp b/source/module_elecstate/module_charge/charge_mixing_rho.cpp index 7b0d110633..9c403a6a64 100644 --- a/source/module_elecstate/module_charge/charge_mixing_rho.cpp +++ b/source/module_elecstate/module_charge/charge_mixing_rho.cpp @@ -1,6 +1,6 @@ #include "charge_mixing.h" #include "module_parameter/parameter.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" void Charge_Mixing::mix_rho_recip(Charge* chr) diff --git a/source/module_elecstate/module_charge/charge_mpi.cpp b/source/module_elecstate/module_charge/charge_mpi.cpp index c94a8f5133..bc8f8cd2df 100644 --- a/source/module_elecstate/module_charge/charge_mpi.cpp +++ b/source/module_elecstate/module_charge/charge_mpi.cpp @@ -1,8 +1,8 @@ #include "charge.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" #include "module_hamilt_general/module_xc/xc_functional.h" #include "module_parameter/parameter.h" #ifdef __MPI diff --git a/source/module_elecstate/module_charge/symmetry_rhog.cpp b/source/module_elecstate/module_charge/symmetry_rhog.cpp index 0ed87bd572..2b1e62191b 100644 --- a/source/module_elecstate/module_charge/symmetry_rhog.cpp +++ b/source/module_elecstate/module_charge/symmetry_rhog.cpp @@ -1,6 +1,6 @@ #include "symmetry_rho.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "module_hamilt_general/module_xc/xc_functional.h" diff --git a/source/module_elecstate/module_dm/cal_dm_psi.cpp b/source/module_elecstate/module_dm/cal_dm_psi.cpp index 21d91e5225..47d733b1e9 100644 --- a/source/module_elecstate/module_dm/cal_dm_psi.cpp +++ b/source/module_elecstate/module_dm/cal_dm_psi.cpp @@ -1,9 +1,9 @@ #include "cal_dm_psi.h" #include "module_parameter/parameter.h" -#include "module_base/blas_connector.h" -#include "module_base/scalapack_connector.h" -#include "module_base/timer.h" +#include "source_base/blas_connector.h" +#include "source_base/scalapack_connector.h" +#include "source_base/timer.h" #include "module_psi/psi.h" namespace elecstate diff --git a/source/module_elecstate/module_dm/cal_dm_psi.h b/source/module_elecstate/module_dm/cal_dm_psi.h index cdd25eb7da..fd1b116815 100644 --- a/source/module_elecstate/module_dm/cal_dm_psi.h +++ b/source/module_elecstate/module_dm/cal_dm_psi.h @@ -1,7 +1,7 @@ #ifndef CAL_DM_PSI_H #define CAL_DM_PSI_H -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "density_matrix.h" namespace elecstate diff --git a/source/module_elecstate/module_dm/cal_edm_tddft.cpp b/source/module_elecstate/module_dm/cal_edm_tddft.cpp index f3dd47ffe5..a3111aeaad 100644 --- a/source/module_elecstate/module_dm/cal_edm_tddft.cpp +++ b/source/module_elecstate/module_dm/cal_edm_tddft.cpp @@ -1,7 +1,7 @@ #include "cal_edm_tddft.h" -#include "module_base/lapack_connector.h" -#include "module_base/scalapack_connector.h" +#include "source_base/lapack_connector.h" +#include "source_base/scalapack_connector.h" namespace elecstate { diff --git a/source/module_elecstate/module_dm/density_matrix.cpp b/source/module_elecstate/module_dm/density_matrix.cpp index 4521071d65..d76728cb22 100644 --- a/source/module_elecstate/module_dm/density_matrix.cpp +++ b/source/module_elecstate/module_dm/density_matrix.cpp @@ -1,10 +1,10 @@ #include "density_matrix.h" #include "module_parameter/parameter.h" -#include "module_base/libm/libm.h" -#include "module_base/memory.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/libm/libm.h" +#include "source_base/memory.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include "module_cell/klist.h" namespace elecstate diff --git a/source/module_elecstate/module_dm/density_matrix_io.cpp b/source/module_elecstate/module_dm/density_matrix_io.cpp index ceeff57a0e..2c2699295e 100644 --- a/source/module_elecstate/module_dm/density_matrix_io.cpp +++ b/source/module_elecstate/module_dm/density_matrix_io.cpp @@ -1,10 +1,10 @@ #include "density_matrix.h" #include "module_parameter/parameter.h" -#include "module_base/libm/libm.h" -#include "module_base/memory.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/libm/libm.h" +#include "source_base/memory.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include "module_cell/klist.h" namespace elecstate diff --git a/source/module_elecstate/module_dm/test/prepare_unitcell.h b/source/module_elecstate/module_dm/test/prepare_unitcell.h index f3370fd655..e760a8da0e 100644 --- a/source/module_elecstate/module_dm/test/prepare_unitcell.h +++ b/source/module_elecstate/module_dm/test/prepare_unitcell.h @@ -3,7 +3,7 @@ #include #include -#include "module_base/mathzone.h" +#include "source_base/mathzone.h" class UcellTestPrepare { diff --git a/source/module_elecstate/module_pot/H_Hartree_pw.cpp b/source/module_elecstate/module_pot/H_Hartree_pw.cpp index 898817f736..cdc26e9bab 100644 --- a/source/module_elecstate/module_pot/H_Hartree_pw.cpp +++ b/source/module_elecstate/module_pot/H_Hartree_pw.cpp @@ -1,9 +1,9 @@ #include "H_Hartree_pw.h" #include "module_parameter/parameter.h" -#include "module_base/constants.h" -#include "module_base/timer.h" -#include "module_base/parallel_reduce.h" +#include "source_base/constants.h" +#include "source_base/timer.h" +#include "source_base/parallel_reduce.h" namespace elecstate { diff --git a/source/module_elecstate/module_pot/H_Hartree_pw.h b/source/module_elecstate/module_pot/H_Hartree_pw.h index aed9eced2b..7f86afeca3 100644 --- a/source/module_elecstate/module_pot/H_Hartree_pw.h +++ b/source/module_elecstate/module_pot/H_Hartree_pw.h @@ -1,9 +1,9 @@ #ifndef HHARTREEPW_H #define HHARTREEPW_H -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/matrix.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/matrix.h" #include "module_cell/unitcell.h" #include "module_basis/module_pw/pw_basis.h" diff --git a/source/module_elecstate/module_pot/H_TDDFT_pw.cpp b/source/module_elecstate/module_pot/H_TDDFT_pw.cpp index c75511e190..71b8550181 100644 --- a/source/module_elecstate/module_pot/H_TDDFT_pw.cpp +++ b/source/module_elecstate/module_pot/H_TDDFT_pw.cpp @@ -1,8 +1,8 @@ #include "H_TDDFT_pw.h" -#include "module_base/constants.h" -#include "module_base/math_integral.h" -#include "module_base/timer.h" +#include "source_base/constants.h" +#include "source_base/math_integral.h" +#include "source_base/timer.h" #include "module_hamilt_lcao/module_tddft/evolve_elec.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_io/input_conv.h" diff --git a/source/module_elecstate/module_pot/efield.cpp b/source/module_elecstate/module_pot/efield.cpp index ed602d5405..6b79650aa3 100644 --- a/source/module_elecstate/module_pot/efield.cpp +++ b/source/module_elecstate/module_pot/efield.cpp @@ -2,10 +2,10 @@ #include "module_parameter/parameter.h" #include "gatefield.h" -#include "module_base/constants.h" -#include "module_base/global_variable.h" -#include "module_base/timer.h" -#include "module_base/parallel_reduce.h" +#include "source_base/constants.h" +#include "source_base/global_variable.h" +#include "source_base/timer.h" +#include "source_base/parallel_reduce.h" namespace elecstate { diff --git a/source/module_elecstate/module_pot/gatefield.cpp b/source/module_elecstate/module_pot/gatefield.cpp index 3a59f54632..8fe2ef1194 100644 --- a/source/module_elecstate/module_pot/gatefield.cpp +++ b/source/module_elecstate/module_pot/gatefield.cpp @@ -2,7 +2,7 @@ #include "module_parameter/parameter.h" #include "efield.h" -#include "module_base/timer.h" +#include "source_base/timer.h" namespace elecstate { diff --git a/source/module_elecstate/module_pot/pot_base.h b/source/module_elecstate/module_pot/pot_base.h index 2f91793612..6dae8db836 100644 --- a/source/module_elecstate/module_pot/pot_base.h +++ b/source/module_elecstate/module_pot/pot_base.h @@ -1,8 +1,8 @@ #ifndef POTBASE_H #define POTBASE_H -#include "module_base/complexmatrix.h" -#include "module_base/matrix.h" +#include "source_base/complexmatrix.h" +#include "source_base/matrix.h" #include "module_cell/unitcell.h" #include "module_basis/module_pw/pw_basis.h" #include "module_elecstate/module_charge/charge.h" diff --git a/source/module_elecstate/module_pot/pot_local.cpp b/source/module_elecstate/module_pot/pot_local.cpp index 101f527efc..e10badda7d 100644 --- a/source/module_elecstate/module_pot/pot_local.cpp +++ b/source/module_elecstate/module_pot/pot_local.cpp @@ -1,7 +1,7 @@ #include "pot_local.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include diff --git a/source/module_elecstate/module_pot/pot_local.h b/source/module_elecstate/module_pot/pot_local.h index df31ac471b..923e962a11 100644 --- a/source/module_elecstate/module_pot/pot_local.h +++ b/source/module_elecstate/module_pot/pot_local.h @@ -1,7 +1,7 @@ #ifndef POTLOCAL_H #define POTLOCAL_H -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "pot_base.h" namespace elecstate diff --git a/source/module_elecstate/module_pot/pot_local_paw.cpp b/source/module_elecstate/module_pot/pot_local_paw.cpp index 9b48d50098..03dab7d59e 100644 --- a/source/module_elecstate/module_pot/pot_local_paw.cpp +++ b/source/module_elecstate/module_pot/pot_local_paw.cpp @@ -1,7 +1,7 @@ #include "pot_local_paw.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include diff --git a/source/module_elecstate/module_pot/pot_local_paw.h b/source/module_elecstate/module_pot/pot_local_paw.h index 8c37ef93a6..7399827c33 100644 --- a/source/module_elecstate/module_pot/pot_local_paw.h +++ b/source/module_elecstate/module_pot/pot_local_paw.h @@ -1,7 +1,7 @@ #ifndef POTLOCALPAW_H #define POTLOCALPAW_H -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "pot_base.h" namespace elecstate diff --git a/source/module_elecstate/module_pot/pot_xc.cpp b/source/module_elecstate/module_pot/pot_xc.cpp index 907363fb17..2091d90c46 100644 --- a/source/module_elecstate/module_pot/pot_xc.cpp +++ b/source/module_elecstate/module_pot/pot_xc.cpp @@ -1,6 +1,6 @@ #include "pot_xc.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #ifdef USE_LIBXC diff --git a/source/module_elecstate/module_pot/potential_new.cpp b/source/module_elecstate/module_pot/potential_new.cpp index d12bb72fa0..d4aff155a6 100644 --- a/source/module_elecstate/module_pot/potential_new.cpp +++ b/source/module_elecstate/module_pot/potential_new.cpp @@ -1,11 +1,11 @@ #include "potential_new.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/memory.h" -#include "module_base/timer.h" -#include "module_base/tool_quit.h" -#include "module_base/tool_title.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/memory.h" +#include "source_base/timer.h" +#include "source_base/tool_quit.h" +#include "source_base/tool_title.h" #include "module_hamilt_general/module_xc/xc_functional.h" #include "module_parameter/parameter.h" diff --git a/source/module_elecstate/module_pot/potential_new.h b/source/module_elecstate/module_pot/potential_new.h index 103a46e064..b4ccdbf4db 100644 --- a/source/module_elecstate/module_pot/potential_new.h +++ b/source/module_elecstate/module_pot/potential_new.h @@ -1,7 +1,7 @@ #ifndef POTENTIALNEW_H #define POTENTIALNEW_H -#include "module_base/complexmatrix.h" +#include "source_base/complexmatrix.h" #include "module_hamilt_general/module_surchem/surchem.h" #include "module_hamilt_pw/hamilt_pwdft/VNL_in_pw.h" #include "module_hamilt_pw/hamilt_pwdft/structure_factor.h" diff --git a/source/module_elecstate/module_pot/potential_types.cpp b/source/module_elecstate/module_pot/potential_types.cpp index c3dd585096..a0999b20bc 100644 --- a/source/module_elecstate/module_pot/potential_types.cpp +++ b/source/module_elecstate/module_pot/potential_types.cpp @@ -2,12 +2,12 @@ #include "efield.h" #include "module_parameter/parameter.h" #include "gatefield.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/memory.h" -#include "module_base/timer.h" -#include "module_base/tool_quit.h" -#include "module_base/tool_title.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/memory.h" +#include "source_base/timer.h" +#include "source_base/tool_quit.h" +#include "source_base/tool_title.h" #include "pot_local.h" #include "pot_surchem.hpp" #include "pot_xc.h" diff --git a/source/module_elecstate/occupy.cpp b/source/module_elecstate/occupy.cpp index 580f90de81..8548fa44e3 100644 --- a/source/module_elecstate/occupy.cpp +++ b/source/module_elecstate/occupy.cpp @@ -1,8 +1,8 @@ #include "occupy.h" -#include "module_base/constants.h" -#include "module_base/mymath.h" -#include "module_base/parallel_reduce.h" +#include "source_base/constants.h" +#include "source_base/mymath.h" +#include "source_base/parallel_reduce.h" #include "module_parameter/parameter.h" Occupy::Occupy() diff --git a/source/module_elecstate/occupy.h b/source/module_elecstate/occupy.h index 8f7b4a3477..627103fcab 100644 --- a/source/module_elecstate/occupy.h +++ b/source/module_elecstate/occupy.h @@ -1,10 +1,10 @@ #ifndef OCCUPY_H #define OCCUPY_H -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/matrix.h" -#include "module_base/vector3.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/matrix.h" +#include "source_base/vector3.h" class Occupy { diff --git a/source/module_elecstate/read_orb.cpp b/source/module_elecstate/read_orb.cpp index 56acf1d6c9..a40d66640a 100644 --- a/source/module_elecstate/read_orb.cpp +++ b/source/module_elecstate/read_orb.cpp @@ -1,5 +1,5 @@ #include "read_orb.h" -#include "module_base/formatter.h" +#include "source_base/formatter.h" namespace elecstate { void read_orb_file(int it, std::string &orb_file, std::ofstream &ofs_running, Atom* atom) diff --git a/source/module_elecstate/read_pseudo.cpp b/source/module_elecstate/read_pseudo.cpp index d6b382ea6c..6a761a6078 100644 --- a/source/module_elecstate/read_pseudo.cpp +++ b/source/module_elecstate/read_pseudo.cpp @@ -1,10 +1,10 @@ #include "read_pseudo.h" #include "module_parameter/parameter.h" -#include "module_base/global_file.h" +#include "source_base/global_file.h" #include "module_cell/read_pp.h" #include "module_cell/bcast_cell.h" -#include "module_base/element_elec_config.h" -#include "module_base/parallel_common.h" +#include "source_base/element_elec_config.h" +#include "source_base/parallel_common.h" #include // Peize Lin fix bug about strcmp 2016-08-02 diff --git a/source/module_elecstate/test/CMakeLists.txt b/source/module_elecstate/test/CMakeLists.txt index 9a8ba6d88b..090bac0cd8 100644 --- a/source/module_elecstate/test/CMakeLists.txt +++ b/source/module_elecstate/test/CMakeLists.txt @@ -57,7 +57,7 @@ AddTest( ../occupy.cpp ../../module_psi/psi.cpp # ../../module_psi/kernels/psi_memory_op.cpp - ../../module_base/module_device/memory_op.cpp + ../../source_base/module_device/memory_op.cpp ) AddTest( diff --git a/source/module_elecstate/test/charge_mixing_test.cpp b/source/module_elecstate/test/charge_mixing_test.cpp index 2580730cf8..0f8c5195d7 100644 --- a/source/module_elecstate/test/charge_mixing_test.cpp +++ b/source/module_elecstate/test/charge_mixing_test.cpp @@ -2,7 +2,7 @@ #include "gtest/gtest.h" #define private public #include "../module_charge/charge_mixing.h" -#include "module_base/module_mixing/broyden_mixing.h" +#include "source_base/module_mixing/broyden_mixing.h" #include "module_basis/module_pw/pw_basis.h" #include "module_hamilt_general/module_xc/xc_functional.h" #include "module_parameter/parameter.h" diff --git a/source/module_elecstate/test/prepare_unitcell.h b/source/module_elecstate/test/prepare_unitcell.h index 37f761c7eb..49635e89f3 100644 --- a/source/module_elecstate/test/prepare_unitcell.h +++ b/source/module_elecstate/test/prepare_unitcell.h @@ -2,7 +2,7 @@ #define PREPARE_UNITCELL_H #include #include -#include "module_base/mathzone.h" +#include "source_base/mathzone.h" class UcellTestPrepare { diff --git a/source/module_elecstate/test_mpi/charge_mpi_test.cpp b/source/module_elecstate/test_mpi/charge_mpi_test.cpp index 81d0fff751..6df64556ce 100644 --- a/source/module_elecstate/test_mpi/charge_mpi_test.cpp +++ b/source/module_elecstate/test_mpi/charge_mpi_test.cpp @@ -1,8 +1,8 @@ #include "gmock/gmock.h" #include "gtest/gtest.h" #define private public -#include "module_base/matrix3.h" -#include "module_base/parallel_global.h" +#include "source_base/matrix3.h" +#include "source_base/parallel_global.h" #include "module_elecstate/module_charge/charge.h" #include "module_hamilt_general/module_xc/xc_functional.h" #include "module_parameter/parameter.h" diff --git a/source/module_hamilt_general/module_ewald/H_Ewald_pw.cpp b/source/module_hamilt_general/module_ewald/H_Ewald_pw.cpp index 2c8cc60f9d..0dba639959 100644 --- a/source/module_hamilt_general/module_ewald/H_Ewald_pw.cpp +++ b/source/module_hamilt_general/module_ewald/H_Ewald_pw.cpp @@ -1,11 +1,11 @@ #include "H_Ewald_pw.h" #include "module_parameter/parameter.h" -#include "module_base/mymath.h" // use heapsort +#include "source_base/mymath.h" // use heapsort #include "module_parameter/parameter.h" #include "dnrm2.h" -#include "module_base/parallel_reduce.h" -#include "module_base/constants.h" -#include "module_base/timer.h" +#include "source_base/parallel_reduce.h" +#include "source_base/constants.h" +#include "source_base/timer.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" double H_Ewald_pw::alpha=0.0; diff --git a/source/module_hamilt_general/module_ewald/H_Ewald_pw.h b/source/module_hamilt_general/module_ewald/H_Ewald_pw.h index 29c738819a..dc9ed967d9 100644 --- a/source/module_hamilt_general/module_ewald/H_Ewald_pw.h +++ b/source/module_hamilt_general/module_ewald/H_Ewald_pw.h @@ -1,8 +1,8 @@ #ifndef H_EWALD_PW_H #define H_EWALD_PW_H -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" #include "module_cell/unitcell.h" #include "module_basis/module_pw/pw_basis.h" #include "module_hamilt_pw/hamilt_pwdft/forces.h" diff --git a/source/module_hamilt_general/module_surchem/H_correction_pw.cpp b/source/module_hamilt_general/module_surchem/H_correction_pw.cpp index b9f6a39548..63d3d80a09 100644 --- a/source/module_hamilt_general/module_surchem/H_correction_pw.cpp +++ b/source/module_hamilt_general/module_surchem/H_correction_pw.cpp @@ -1,8 +1,8 @@ #include -#include "module_base/constants.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" +#include "source_base/constants.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" #include "module_hamilt_general/module_xc/xc_functional.h" #include "surchem.h" diff --git a/source/module_hamilt_general/module_surchem/cal_vcav.cpp b/source/module_hamilt_general/module_surchem/cal_vcav.cpp index 86d6923524..d80145931d 100644 --- a/source/module_hamilt_general/module_surchem/cal_vcav.cpp +++ b/source/module_hamilt_general/module_surchem/cal_vcav.cpp @@ -1,4 +1,4 @@ -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_hamilt_general/module_xc/xc_functional.h" #include "module_parameter/parameter.h" #include "surchem.h" diff --git a/source/module_hamilt_general/module_surchem/cal_vel.cpp b/source/module_hamilt_general/module_surchem/cal_vel.cpp index ac0771cbde..23fadef7a9 100644 --- a/source/module_hamilt_general/module_surchem/cal_vel.cpp +++ b/source/module_hamilt_general/module_surchem/cal_vel.cpp @@ -1,4 +1,4 @@ -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_hamilt_general/module_xc/xc_functional.h" #include "module_parameter/parameter.h" #include "surchem.h" diff --git a/source/module_hamilt_general/module_surchem/sol_force.cpp b/source/module_hamilt_general/module_surchem/sol_force.cpp index 00c4da4404..aeb096b4ee 100644 --- a/source/module_hamilt_general/module_surchem/sol_force.cpp +++ b/source/module_hamilt_general/module_surchem/sol_force.cpp @@ -1,5 +1,5 @@ #include "surchem.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_parameter/parameter.h" void surchem::force_cor_one(const UnitCell& cell, diff --git a/source/module_hamilt_general/module_surchem/surchem.h b/source/module_hamilt_general/module_surchem/surchem.h index cb69735cd1..f44e6b6e1f 100644 --- a/source/module_hamilt_general/module_surchem/surchem.h +++ b/source/module_hamilt_general/module_surchem/surchem.h @@ -1,11 +1,11 @@ #ifndef SURCHEM_H #define SURCHEM_H -#include "module_base/atom_in.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/matrix.h" -#include "module_base/parallel_reduce.h" +#include "source_base/atom_in.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/matrix.h" +#include "source_base/parallel_reduce.h" #include "module_basis/module_pw/pw_basis.h" #include "module_cell/unitcell.h" #include "module_hamilt_pw/hamilt_pwdft/parallel_grid.h" diff --git a/source/module_hamilt_general/module_surchem/test/cal_epsilon_test.cpp b/source/module_hamilt_general/module_surchem/test/cal_epsilon_test.cpp index dc0b404e33..72d3da12c4 100644 --- a/source/module_hamilt_general/module_surchem/test/cal_epsilon_test.cpp +++ b/source/module_hamilt_general/module_surchem/test/cal_epsilon_test.cpp @@ -1,13 +1,13 @@ #ifdef __MPI -#include "../../../module_base/parallel_global.h" +#include "../../../source_base/parallel_global.h" #include "../../../module_basis/module_pw/test/test_tool.h" #include "mpi.h" #endif -#include "../../../module_base/parallel_global.h" +#include "../../../source_base/parallel_global.h" #include "../surchem.h" -#include "module_base/constants.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" #include "module_basis/module_pw/pw_basis.h" #include "gmock/gmock.h" diff --git a/source/module_hamilt_general/module_surchem/test/cal_pseudo_test.cpp b/source/module_hamilt_general/module_surchem/test/cal_pseudo_test.cpp index 54e0de6a09..c01372e6e0 100644 --- a/source/module_hamilt_general/module_surchem/test/cal_pseudo_test.cpp +++ b/source/module_hamilt_general/module_surchem/test/cal_pseudo_test.cpp @@ -1,5 +1,5 @@ #ifdef __MPI -#include "../../../module_base/parallel_global.h" +#include "../../../source_base/parallel_global.h" #include "mpi.h" #endif #include "../surchem.h" diff --git a/source/module_hamilt_general/module_surchem/test/cal_totn_test.cpp b/source/module_hamilt_general/module_surchem/test/cal_totn_test.cpp index 10bd4dcf58..09ca4647fd 100644 --- a/source/module_hamilt_general/module_surchem/test/cal_totn_test.cpp +++ b/source/module_hamilt_general/module_surchem/test/cal_totn_test.cpp @@ -1,5 +1,5 @@ #ifdef __MPI -#include "../../../module_base/parallel_global.h" +#include "../../../source_base/parallel_global.h" #include "mpi.h" #endif #include "../surchem.h" diff --git a/source/module_hamilt_general/module_surchem/test/cal_vcav_test.cpp b/source/module_hamilt_general/module_surchem/test/cal_vcav_test.cpp index 3cf4fcec61..65fe839aa2 100644 --- a/source/module_hamilt_general/module_surchem/test/cal_vcav_test.cpp +++ b/source/module_hamilt_general/module_surchem/test/cal_vcav_test.cpp @@ -1,5 +1,5 @@ #ifdef __MPI -#include "../../../module_base/parallel_global.h" +#include "../../../source_base/parallel_global.h" #include "mpi.h" #endif #include "../../module_xc/xc_functional.h" diff --git a/source/module_hamilt_general/module_surchem/test/cal_vel_test.cpp b/source/module_hamilt_general/module_surchem/test/cal_vel_test.cpp index 525a11554e..c74873ae9d 100644 --- a/source/module_hamilt_general/module_surchem/test/cal_vel_test.cpp +++ b/source/module_hamilt_general/module_surchem/test/cal_vel_test.cpp @@ -1,5 +1,5 @@ #ifdef __MPI -#include "../../../module_base/parallel_global.h" +#include "../../../source_base/parallel_global.h" #define private public #include "module_parameter/parameter.h" #undef private diff --git a/source/module_hamilt_general/module_vdw/test/vdw_test.cpp b/source/module_hamilt_general/module_vdw/test/vdw_test.cpp index 9565d3f89f..4d9ff866a4 100644 --- a/source/module_hamilt_general/module_vdw/test/vdw_test.cpp +++ b/source/module_hamilt_general/module_vdw/test/vdw_test.cpp @@ -1,7 +1,7 @@ #include "module_cell/unitcell.h" #include "module_cell/setup_nonlocal.h" -#include "module_base/mathzone.h" -#include "module_base/vector3.h" +#include "source_base/mathzone.h" +#include "source_base/vector3.h" #include"gtest/gtest.h" #include"gmock/gmock.h" #include "mpi.h" diff --git a/source/module_hamilt_general/module_vdw/vdw.cpp b/source/module_hamilt_general/module_vdw/vdw.cpp index 791200da72..b9c6185865 100644 --- a/source/module_hamilt_general/module_vdw/vdw.cpp +++ b/source/module_hamilt_general/module_vdw/vdw.cpp @@ -4,7 +4,7 @@ #include "vdw.h" #include "vdwd2.h" #include "vdwd3.h" -#include "module_base/tool_quit.h" +#include "source_base/tool_quit.h" std::string parse_xcname(const std::string &xc_input, const std::vector &xc_psp) diff --git a/source/module_hamilt_general/module_vdw/vdw_parameters.h b/source/module_hamilt_general/module_vdw/vdw_parameters.h index 68c3a4abe5..630ff3d9e7 100644 --- a/source/module_hamilt_general/module_vdw/vdw_parameters.h +++ b/source/module_hamilt_general/module_vdw/vdw_parameters.h @@ -1,7 +1,7 @@ #ifndef VDW_PARAMETERS_H #define VDW_PARAMETERS_H -#include "module_base/vector3.h" +#include "source_base/vector3.h" #include diff --git a/source/module_hamilt_general/module_vdw/vdwd2.cpp b/source/module_hamilt_general/module_vdw/vdwd2.cpp index 0439683580..6a4a387982 100644 --- a/source/module_hamilt_general/module_vdw/vdwd2.cpp +++ b/source/module_hamilt_general/module_vdw/vdwd2.cpp @@ -5,7 +5,7 @@ //========================================================== #include "vdwd2.h" -#include "module_base/timer.h" +#include "source_base/timer.h" namespace vdw { diff --git a/source/module_hamilt_general/module_vdw/vdwd3.cpp b/source/module_hamilt_general/module_vdw/vdwd3.cpp index b5b0798c63..95aeac8226 100644 --- a/source/module_hamilt_general/module_vdw/vdwd3.cpp +++ b/source/module_hamilt_general/module_vdw/vdwd3.cpp @@ -6,10 +6,10 @@ #include "vdwd3.h" -#include "module_base/constants.h" -#include "module_base/element_name.h" -#include "module_base/global_function.h" -#include "module_base/timer.h" +#include "source_base/constants.h" +#include "source_base/element_name.h" +#include "source_base/global_function.h" +#include "source_base/timer.h" namespace vdw { diff --git a/source/module_hamilt_general/module_vdw/vdwd3_autoset_xcname.cpp b/source/module_hamilt_general/module_vdw/vdwd3_autoset_xcname.cpp index bec17fbd15..1068aeebab 100644 --- a/source/module_hamilt_general/module_vdw/vdwd3_autoset_xcname.cpp +++ b/source/module_hamilt_general/module_vdw/vdwd3_autoset_xcname.cpp @@ -44,10 +44,10 @@ #include #include #include -#include "module_base/formatter.h" +#include "source_base/formatter.h" #include #include -#include "module_base/tool_quit.h" +#include "source_base/tool_quit.h" #include "module_hamilt_general/module_vdw/vdwd3_parameters.h" const std::map xcname_libxc_xc_ = { diff --git a/source/module_hamilt_general/module_vdw/vdwd3_autoset_xcparam.cpp b/source/module_hamilt_general/module_vdw/vdwd3_autoset_xcparam.cpp index 24fb9d9231..a1ea354658 100644 --- a/source/module_hamilt_general/module_vdw/vdwd3_autoset_xcparam.cpp +++ b/source/module_hamilt_general/module_vdw/vdwd3_autoset_xcparam.cpp @@ -64,8 +64,8 @@ #include #include #include -#include "module_base/formatter.h" -#include "module_base/tool_quit.h" +#include "source_base/formatter.h" +#include "source_base/tool_quit.h" #include "module_hamilt_general/module_vdw/vdwd3_parameters.h" // DFT-D3(BJ) diff --git a/source/module_hamilt_general/module_vdw/vdwd3_parameters.cpp b/source/module_hamilt_general/module_vdw/vdwd3_parameters.cpp index fc2736529b..8bb02c367a 100644 --- a/source/module_hamilt_general/module_vdw/vdwd3_parameters.cpp +++ b/source/module_hamilt_general/module_vdw/vdwd3_parameters.cpp @@ -5,7 +5,7 @@ //========================================================== #include "vdwd3_parameters.h" -#include "module_base/constants.h" +#include "source_base/constants.h" #include namespace vdw { diff --git a/source/module_hamilt_general/module_vdw/vdwd3_parameters_tab.cpp b/source/module_hamilt_general/module_vdw/vdwd3_parameters_tab.cpp index 30de4f5390..bd06018e6e 100644 --- a/source/module_hamilt_general/module_vdw/vdwd3_parameters_tab.cpp +++ b/source/module_hamilt_general/module_vdw/vdwd3_parameters_tab.cpp @@ -4,7 +4,7 @@ //========================================================== #include "vdwd3_parameters.h" -#include "module_base/constants.h" +#include "source_base/constants.h" namespace vdw { diff --git a/source/module_hamilt_general/module_xc/kernels/cuda/xc_functional_op.cu b/source/module_hamilt_general/module_xc/kernels/cuda/xc_functional_op.cu index 60b1da3e88..50ceb430b0 100644 --- a/source/module_hamilt_general/module_xc/kernels/cuda/xc_functional_op.cu +++ b/source/module_hamilt_general/module_xc/kernels/cuda/xc_functional_op.cu @@ -1,5 +1,5 @@ #include -#include "module_base/module_device/types.h" +#include "source_base/module_device/types.h" #include #include diff --git a/source/module_hamilt_general/module_xc/kernels/rocm/xc_functional_op.hip.cu b/source/module_hamilt_general/module_xc/kernels/rocm/xc_functional_op.hip.cu index 937a277d74..fb381e8a48 100644 --- a/source/module_hamilt_general/module_xc/kernels/rocm/xc_functional_op.hip.cu +++ b/source/module_hamilt_general/module_xc/kernels/rocm/xc_functional_op.hip.cu @@ -1,5 +1,5 @@ #include -#include "module_base/module_device/types.h" +#include "source_base/module_device/types.h" #include #include diff --git a/source/module_hamilt_general/module_xc/kernels/xc_functional_op.h b/source/module_hamilt_general/module_xc/kernels/xc_functional_op.h index 1c83947182..2703300cb4 100644 --- a/source/module_hamilt_general/module_xc/kernels/xc_functional_op.h +++ b/source/module_hamilt_general/module_xc/kernels/xc_functional_op.h @@ -3,7 +3,7 @@ #include #include -#include +#include namespace hamilt { diff --git a/source/module_hamilt_general/module_xc/test/CMakeLists.txt b/source/module_hamilt_general/module_xc/test/CMakeLists.txt index 9b0bc440b7..0219e47b3b 100644 --- a/source/module_hamilt_general/module_xc/test/CMakeLists.txt +++ b/source/module_hamilt_general/module_xc/test/CMakeLists.txt @@ -36,11 +36,11 @@ AddTest( ../xc_functional_libxc_wrapper_tauxc.cpp ../xc_funct_corr_gga.cpp ../xc_funct_corr_lda.cpp ../xc_funct_exch_gga.cpp ../xc_funct_exch_lda.cpp ../xc_funct_hcth.cpp - ../../../module_base/matrix.cpp - ../../../module_base/memory.cpp - ../../../module_base/libm/branred.cpp - ../../../module_base/libm/sincos.cpp - ../../../module_base/blas_connector_base.cpp ../../../module_base/blas_connector_vector.cpp ../../../module_base/blas_connector_matrix.cpp + ../../../source_base/matrix.cpp + ../../../source_base/memory.cpp + ../../../source_base/libm/branred.cpp + ../../../source_base/libm/sincos.cpp + ../../../source_base/blas_connector_base.cpp ../../../source_base/blas_connector_vector.cpp ../../../source_base/blas_connector_matrix.cpp ../../../module_basis/module_pw/module_fft/fft_bundle.cpp ../../../module_basis/module_pw/module_fft/fft_cpu.cpp ${FFT_SRC} @@ -73,12 +73,12 @@ AddTest( ../xc_functional_vxc.cpp ../xc_functional_libxc_vxc.cpp ../xc_functional_libxc_tools.cpp - ../../../module_base/blas_connector_base.cpp ../../../module_base/blas_connector_vector.cpp ../../../module_base/blas_connector_matrix.cpp - ../../../module_base/matrix.cpp - ../../../module_base/memory.cpp - ../../../module_base/timer.cpp - ../../../module_base/libm/branred.cpp - ../../../module_base/libm/sincos.cpp + ../../../source_base/blas_connector_base.cpp ../../../source_base/blas_connector_vector.cpp ../../../source_base/blas_connector_matrix.cpp + ../../../source_base/matrix.cpp + ../../../source_base/memory.cpp + ../../../source_base/timer.cpp + ../../../source_base/libm/branred.cpp + ../../../source_base/libm/sincos.cpp ../../../module_basis/module_pw/module_fft/fft_bundle.cpp ../../../module_basis/module_pw/module_fft/fft_cpu.cpp ${FFT_SRC} diff --git a/source/module_hamilt_general/module_xc/test/test_xc3.cpp b/source/module_hamilt_general/module_xc/test/test_xc3.cpp index 13255831e1..1e7657ccdd 100644 --- a/source/module_hamilt_general/module_xc/test/test_xc3.cpp +++ b/source/module_hamilt_general/module_xc/test/test_xc3.cpp @@ -6,7 +6,7 @@ #include "../xc_functional.h" #include "../exx_info.h" #include "xc3_mock.h" -#include "module_base/matrix.h" +#include "source_base/matrix.h" /************************************************ * unit test of functionals diff --git a/source/module_hamilt_general/module_xc/test/test_xc5.cpp b/source/module_hamilt_general/module_xc/test/test_xc5.cpp index 67e81b4208..fc5a46ace8 100644 --- a/source/module_hamilt_general/module_xc/test/test_xc5.cpp +++ b/source/module_hamilt_general/module_xc/test/test_xc5.cpp @@ -7,8 +7,8 @@ #include "xctest.h" #include "../exx_info.h" #include "xc3_mock.h" -#include "module_base/matrix.h" -#include "../../../module_base/parallel_reduce.h" +#include "source_base/matrix.h" +#include "../../../source_base/parallel_reduce.h" /************************************************ * unit test of functionals diff --git a/source/module_hamilt_general/module_xc/xc_functional.cpp b/source/module_hamilt_general/module_xc/xc_functional.cpp index 70e85a5c30..45bbb6d73c 100644 --- a/source/module_hamilt_general/module_xc/xc_functional.cpp +++ b/source/module_hamilt_general/module_xc/xc_functional.cpp @@ -1,7 +1,7 @@ #include "xc_functional.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_parameter/parameter.h" -#include "module_base/global_function.h" +#include "source_base/global_function.h" #ifdef USE_LIBXC #include "xc_functional_libxc.h" diff --git a/source/module_hamilt_general/module_xc/xc_functional.h b/source/module_hamilt_general/module_xc/xc_functional.h index c0fbc91744..9a3e73eb25 100644 --- a/source/module_hamilt_general/module_xc/xc_functional.h +++ b/source/module_hamilt_general/module_xc/xc_functional.h @@ -10,11 +10,11 @@ #else #include "xc_funcs.h" #endif // ifdef USE_LIBXC -#include "module_base/macros.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/vector3.h" -#include "module_base/matrix.h" +#include "source_base/macros.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/vector3.h" +#include "source_base/matrix.h" #include "exx_info.h" #include "module_basis/module_pw/pw_basis_k.h" #include "module_elecstate/module_charge/charge.h" diff --git a/source/module_hamilt_general/module_xc/xc_functional_gradcorr.cpp b/source/module_hamilt_general/module_xc/xc_functional_gradcorr.cpp index 4250146510..94ca64644a 100644 --- a/source/module_hamilt_general/module_xc/xc_functional_gradcorr.cpp +++ b/source/module_hamilt_general/module_xc/xc_functional_gradcorr.cpp @@ -9,7 +9,7 @@ // and gives the spin up and spin down components of the charge. #include "xc_functional.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_basis/module_pw/pw_basis_k.h" #include "module_parameter/parameter.h" #include diff --git a/source/module_hamilt_general/module_xc/xc_functional_libxc.cpp b/source/module_hamilt_general/module_xc/xc_functional_libxc.cpp index f3ea0fbbd0..24154c75b4 100644 --- a/source/module_hamilt_general/module_xc/xc_functional_libxc.cpp +++ b/source/module_hamilt_general/module_xc/xc_functional_libxc.cpp @@ -2,8 +2,8 @@ #include "xc_functional_libxc.h" #include "module_parameter/parameter.h" -#include "module_base/tool_quit.h" -#include "module_base/formatter.h" +#include "source_base/tool_quit.h" +#include "source_base/formatter.h" #ifdef __EXX #include "module_hamilt_pw/hamilt_pwdft/global.h" // just for GlobalC::exx_info diff --git a/source/module_hamilt_general/module_xc/xc_functional_libxc.h b/source/module_hamilt_general/module_xc/xc_functional_libxc.h index 67953c0c57..948db289db 100644 --- a/source/module_hamilt_general/module_xc/xc_functional_libxc.h +++ b/source/module_hamilt_general/module_xc/xc_functional_libxc.h @@ -3,8 +3,8 @@ #ifdef USE_LIBXC -#include "module_base/matrix.h" -#include "module_base/vector3.h" +#include "source_base/matrix.h" +#include "source_base/vector3.h" #include #include diff --git a/source/module_hamilt_general/module_xc/xc_functional_libxc_vxc.cpp b/source/module_hamilt_general/module_xc/xc_functional_libxc_vxc.cpp index 20836fd8b1..f5deef72e0 100644 --- a/source/module_hamilt_general/module_xc/xc_functional_libxc_vxc.cpp +++ b/source/module_hamilt_general/module_xc/xc_functional_libxc_vxc.cpp @@ -3,11 +3,11 @@ #include "xc_functional.h" #include "xc_functional_libxc.h" #include "module_elecstate/module_charge/charge.h" -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" #include "module_parameter/parameter.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include diff --git a/source/module_hamilt_general/module_xc/xc_functional_vxc.cpp b/source/module_hamilt_general/module_xc/xc_functional_vxc.cpp index 7a2adef8e3..a68a72d4c1 100644 --- a/source/module_hamilt_general/module_xc/xc_functional_vxc.cpp +++ b/source/module_hamilt_general/module_xc/xc_functional_vxc.cpp @@ -5,8 +5,8 @@ // 3. v_xc_meta : which takes rho and tau as input, and v_xc as output #include "xc_functional.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" #include "module_parameter/parameter.h" #ifdef USE_LIBXC diff --git a/source/module_hamilt_general/module_xc/xc_functional_wrapper_gcxc.cpp b/source/module_hamilt_general/module_xc/xc_functional_wrapper_gcxc.cpp index a162c5f06f..b126a9a4c9 100644 --- a/source/module_hamilt_general/module_xc/xc_functional_wrapper_gcxc.cpp +++ b/source/module_hamilt_general/module_xc/xc_functional_wrapper_gcxc.cpp @@ -9,7 +9,7 @@ #include "xc_functional.h" #include #include "module_hamilt_pw/hamilt_pwdft/global.h" -#include "module_base/global_function.h" +#include "source_base/global_function.h" #ifdef USE_LIBXC #include "xc_functional_libxc.h" diff --git a/source/module_hamilt_general/operator.cpp b/source/module_hamilt_general/operator.cpp index 6682777322..0c6ced1f55 100644 --- a/source/module_hamilt_general/operator.cpp +++ b/source/module_hamilt_general/operator.cpp @@ -1,6 +1,6 @@ #include "operator.h" -#include "module_base/timer.h" +#include "source_base/timer.h" using namespace hamilt; diff --git a/source/module_hamilt_general/operator.h b/source/module_hamilt_general/operator.h index 87567f9f36..9136dfa0ee 100644 --- a/source/module_hamilt_general/operator.h +++ b/source/module_hamilt_general/operator.h @@ -1,8 +1,8 @@ #ifndef OPERATOR_H #define OPERATOR_H -#include "module_base/global_function.h" -#include "module_base/tool_quit.h" +#include "source_base/global_function.h" +#include "source_base/tool_quit.h" #include "module_psi/psi.h" #include diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/FORCE.h b/source/module_hamilt_lcao/hamilt_lcaodft/FORCE.h index cb28b3cb98..3b53073dd3 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/FORCE.h +++ b/source/module_hamilt_lcao/hamilt_lcaodft/FORCE.h @@ -1,9 +1,9 @@ #ifndef W_ABACUS_DEVELOP_ABACUS_DEVELOP_SOURCE_MODULE_HAMILT_LCAO_HAMILT_LCAODFT_FORCE_H #define W_ABACUS_DEVELOP_ABACUS_DEVELOP_SOURCE_MODULE_HAMILT_LCAO_HAMILT_LCAODFT_FORCE_H -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/matrix.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/matrix.h" #include "module_basis/module_nao/two_center_bundle.h" #include "module_elecstate/elecstate.h" #include "module_elecstate/module_dm/density_matrix.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/FORCE_STRESS.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/FORCE_STRESS.cpp index 30abb40823..fb3c97823d 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/FORCE_STRESS.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/FORCE_STRESS.cpp @@ -5,7 +5,7 @@ #include "module_io/output_log.h" #include "module_parameter/parameter.h" // new -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" #include "module_elecstate/elecstate_lcao.h" #include "module_elecstate/module_pot/H_TDDFT_pw.h" // Taoni add 2025-02-20 @@ -997,7 +997,7 @@ void Force_Stress_LCAO::calStressPwPart(UnitCell& ucell, return; } -#include "module_base/mathzone.h" +#include "source_base/mathzone.h" // do symmetry for total force template void Force_Stress_LCAO::forceSymmetry(const UnitCell& ucell, ModuleBase::matrix& fcs, ModuleSymmetry::Symmetry* symm) diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/FORCE_STRESS.h b/source/module_hamilt_lcao/hamilt_lcaodft/FORCE_STRESS.h index ebd725f1a6..dba1145092 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/FORCE_STRESS.h +++ b/source/module_hamilt_lcao/hamilt_lcaodft/FORCE_STRESS.h @@ -2,9 +2,9 @@ #define FORCE_STRESS_LCAO_H #include "FORCE.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/matrix.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/matrix.h" #include "module_hamilt_pw/hamilt_pwdft/forces.h" #include "module_hamilt_pw/hamilt_pwdft/stress_func.h" #include "module_hamilt_pw/hamilt_pwdft/structure_factor.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/FORCE_gamma.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/FORCE_gamma.cpp index 72fe2feba9..7fa5841ea5 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/FORCE_gamma.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/FORCE_gamma.cpp @@ -1,7 +1,7 @@ #include "FORCE.h" -#include "module_base/memory.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" +#include "source_base/memory.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_parameter/parameter.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/FORCE_k.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/FORCE_k.cpp index 8a5545e637..a8a571502e 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/FORCE_k.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/FORCE_k.cpp @@ -1,8 +1,8 @@ #include "FORCE.h" -#include "module_base/memory.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" -#include "module_base/tool_threading.h" +#include "source_base/memory.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" +#include "source_base/tool_threading.h" #include "module_basis/module_ao/ORB_read.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" #include "module_elecstate/cal_dm.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_HS_arrays.hpp b/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_HS_arrays.hpp index 908b04c80f..5a306918ea 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_HS_arrays.hpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_HS_arrays.hpp @@ -1,7 +1,7 @@ #ifndef LCAO_HS_ARRAYS_H #define LCAO_HS_ARRAYS_H -#include "module_base/abfs-vector3_order.h" +#include "source_base/abfs-vector3_order.h" #include #include diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_allocate.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_allocate.cpp index 49f5e2bb9b..ebd3dba357 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_allocate.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_allocate.cpp @@ -1,4 +1,4 @@ -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_hamilt_lcao/hamilt_lcaodft/LCAO_domain.h" #include "module_hamilt_lcao/module_deepks/LCAO_deepks.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_domain.h b/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_domain.h index 80b566356c..333280ff81 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_domain.h +++ b/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_domain.h @@ -1,9 +1,9 @@ #ifndef LCAO_DOMAIN_H #define LCAO_DOMAIN_H -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/vector3.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/vector3.h" #include "module_basis/module_nao/two_center_bundle.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" #include "module_hamilt_lcao/hamilt_lcaodft/LCAO_HS_arrays.hpp" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_hamilt.hpp b/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_hamilt.hpp index 10f508c578..d79f621677 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_hamilt.hpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_hamilt.hpp @@ -3,9 +3,9 @@ #ifndef LCAO_HAMILT_HPP #define LCAO_HAMILT_HPP -#include "module_base/abfs-vector3_order.h" -#include "module_base/global_variable.h" -#include "module_base/timer.h" +#include "source_base/abfs-vector3_order.h" +#include "source_base/global_variable.h" +#include "source_base/timer.h" #include "module_hamilt_lcao/hamilt_lcaodft/spar_exx.h" #include "module_ri/RI_2D_Comm.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_nl_mu.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_nl_mu.cpp index be02ede822..665af92afc 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_nl_mu.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_nl_mu.cpp @@ -1,4 +1,4 @@ -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_hamilt_lcao/hamilt_lcaodft/LCAO_domain.h" #include "module_parameter/parameter.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_set_st.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_set_st.cpp index 718d504615..dbe172261d 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_set_st.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_set_st.cpp @@ -1,4 +1,4 @@ -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_hamilt_lcao/hamilt_lcaodft/LCAO_domain.h" #include "module_parameter/parameter.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_set_zero.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_set_zero.cpp index 039efae65d..03d7edd99a 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_set_zero.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_set_zero.cpp @@ -1,8 +1,8 @@ #include "module_hamilt_lcao/hamilt_lcaodft/LCAO_domain.h" -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" #include "module_parameter/parameter.h" -#include "module_base/timer.h" -#include "module_base/tool_threading.h" +#include "source_base/timer.h" +#include "source_base/tool_threading.h" namespace LCAO_domain { diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb-orb11.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb-orb11.cpp index 7ad7ad7dfa..394384a3b4 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb-orb11.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb-orb11.cpp @@ -6,11 +6,11 @@ #include "center2_orb-orb11.h" #include "center2_orb.h" -#include "module_base/constants.h" -#include "module_base/math_polyint.h" -#include "module_base/sph_bessel_recursive.h" -#include "module_base/ylm.h" -#include "module_base/array_pool.h" +#include "source_base/constants.h" +#include "source_base/math_polyint.h" +#include "source_base/sph_bessel_recursive.h" +#include "source_base/ylm.h" +#include "source_base/array_pool.h" #include diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb-orb11.h b/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb-orb11.h index 8cd2eaa606..40b7716b68 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb-orb11.h +++ b/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb-orb11.h @@ -7,8 +7,8 @@ #define W_ABACUS_DEVELOP_ABACUS_DEVELOP_SOURCE_MODULE_HAMILT_LCAO_HAMILT_LCAODFT_CENTER2_ORB_ORB11_H #include "center2_orb.h" -#include "module_base/sph_bessel_recursive.h" -#include "module_base/vector3.h" +#include "source_base/sph_bessel_recursive.h" +#include "source_base/vector3.h" #include "module_basis/module_ao/ORB_atomic_lm.h" #include "module_basis/module_ao/ORB_gaunt_table.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb-orb21.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb-orb21.cpp index ae0fde5fd6..70d85ebebb 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb-orb21.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb-orb21.cpp @@ -6,8 +6,8 @@ #include "center2_orb-orb21.h" -#include "module_base/constants.h" -#include "module_base/ylm.h" +#include "source_base/constants.h" +#include "source_base/ylm.h" #include diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb-orb21.h b/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb-orb21.h index 0f90bc7847..250c555a46 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb-orb21.h +++ b/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb-orb21.h @@ -8,7 +8,7 @@ #include "center2_orb-orb11.h" #include "center2_orb.h" -#include "module_base/vector3.h" +#include "source_base/vector3.h" #include "module_basis/module_ao/ORB_atomic_lm.h" #include "module_basis/module_ao/ORB_gaunt_table.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb-orb22.h b/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb-orb22.h index 0b44bcbc50..80e4531420 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb-orb22.h +++ b/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb-orb22.h @@ -8,7 +8,7 @@ #include "center2_orb-orb21.h" #include "center2_orb.h" -#include "module_base/vector3.h" +#include "source_base/vector3.h" #include "module_basis/module_ao/ORB_atomic_lm.h" #include "module_basis/module_ao/ORB_gaunt_table.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb.cpp index 6766349027..a2abeaf8bd 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb.cpp @@ -1,12 +1,12 @@ #include "center2_orb.h" -#include "module_base/constants.h" -#include "module_base/math_integral.h" -#include "module_base/mathzone_add1.h" -#include "module_base/memory.h" -#include "module_base/timer.h" -#include "module_base/tool_quit.h" -#include "module_base/tool_title.h" +#include "source_base/constants.h" +#include "source_base/math_integral.h" +#include "source_base/mathzone_add1.h" +#include "source_base/memory.h" +#include "source_base/timer.h" +#include "source_base/tool_quit.h" +#include "source_base/tool_title.h" int Center2_Orb::get_rmesh(const double& R1, const double& R2, const double dr) { @@ -273,7 +273,7 @@ void Center2_Orb::cal_ST_Phi12_R(const int& job, ModuleBase::timer::tick("Center2_Orb", "cal_ST_Phi12_R"); } -#include "module_base/constants.h" +#include "source_base/constants.h" // Peize Lin add 2017-10-27 void Center2_Orb::cal_ST_Phi12_R(const int& job, diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb.h b/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb.h index f0b49b9128..adbb9de3de 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb.h +++ b/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb.h @@ -6,7 +6,7 @@ #ifndef CENTER2_ORB_H #define CENTER2_ORB_H -#include "module_base/sph_bessel_recursive.h" +#include "source_base/sph_bessel_recursive.h" #include "module_basis/module_ao/ORB_atomic_lm.h" #include diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/edm.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/edm.cpp index 49074830a8..3e5ff0b8bb 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/edm.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/edm.cpp @@ -1,6 +1,6 @@ #include "FORCE.h" #include "module_elecstate/module_dm/cal_dm_psi.h" -#include "module_base/memory.h" +#include "source_base/memory.h" #include "module_parameter/parameter.h" template<> elecstate::DensityMatrix Force_LCAO::cal_edm(const elecstate::ElecState* pelec, diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/grid_init.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/grid_init.cpp index d14e3ef8a9..90667a738c 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/grid_init.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/grid_init.cpp @@ -1,9 +1,9 @@ #include "module_hamilt_lcao/hamilt_lcaodft/LCAO_domain.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_parameter/parameter.h" -#include "module_base/global_variable.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" +#include "source_base/global_variable.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" namespace LCAO_domain { diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/hamilt_lcao.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/hamilt_lcao.cpp index 953f35579c..b01bcd1ca2 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/hamilt_lcao.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/hamilt_lcao.cpp @@ -1,8 +1,8 @@ #include "hamilt_lcao.h" -#include "module_base/global_variable.h" -#include "module_base/memory.h" -#include "module_base/timer.h" +#include "source_base/global_variable.h" +#include "source_base/memory.h" +#include "source_base/timer.h" #include "module_hamilt_lcao/module_dftu/dftu.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_parameter/parameter.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/deepks_lcao.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/deepks_lcao.cpp index 262832d50b..b5b281f6ec 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/deepks_lcao.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/deepks_lcao.cpp @@ -1,7 +1,7 @@ #include "deepks_lcao.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" #include "module_hamilt_lcao/module_deepks/LCAO_deepks.h" #include "module_hamilt_lcao/module_hcontainer/hcontainer_funcs.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/dftu_force_stress.hpp b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/dftu_force_stress.hpp index c6d1d343f8..2ce46854a4 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/dftu_force_stress.hpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/dftu_force_stress.hpp @@ -1,7 +1,7 @@ #pragma once #include "dftu_lcao.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" namespace hamilt { diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/dftu_lcao.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/dftu_lcao.cpp index 3c4a430c6d..e5c07fae6b 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/dftu_lcao.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/dftu_lcao.cpp @@ -1,7 +1,7 @@ #include "dftu_lcao.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" #include "module_hamilt_lcao/hamilt_lcaodft/operator_lcao/operator_lcao.h" #include "module_hamilt_lcao/module_hcontainer/hcontainer_funcs.h" @@ -9,7 +9,7 @@ #ifdef _OPENMP #include #endif -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_reduce.h" template hamilt::DFTU>::DFTU(HS_Matrix_K* hsk_in, diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/dspin_force_stress.hpp b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/dspin_force_stress.hpp index 0646a0b617..ff14029e25 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/dspin_force_stress.hpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/dspin_force_stress.hpp @@ -1,7 +1,7 @@ #pragma once #include "dspin_lcao.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" namespace hamilt { diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/dspin_lcao.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/dspin_lcao.cpp index e2f8b65209..2515fe4117 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/dspin_lcao.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/dspin_lcao.cpp @@ -1,10 +1,10 @@ #include "dspin_lcao.h" #include "module_hamilt_lcao/module_deltaspin/spin_constrain.h" -#include "module_base/blas_connector.h" -#include "module_base/timer.h" -#include "module_base/memory.h" -#include "module_base/tool_title.h" -#include "module_base/parallel_reduce.h" +#include "source_base/blas_connector.h" +#include "source_base/timer.h" +#include "source_base/memory.h" +#include "source_base/tool_title.h" +#include "source_base/parallel_reduce.h" #include "module_parameter/parameter.h" template diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/ekinetic_new.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/ekinetic_new.cpp index aca9776c37..85e985bbe0 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/ekinetic_new.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/ekinetic_new.cpp @@ -1,7 +1,7 @@ #include "ekinetic_new.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" #include "module_hamilt_lcao/hamilt_lcaodft/operator_lcao/operator_lcao.h" #include "module_hamilt_lcao/module_hcontainer/hcontainer_funcs.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/meta_lcao.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/meta_lcao.cpp index de325a998f..c170e2f6f4 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/meta_lcao.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/meta_lcao.cpp @@ -1,6 +1,6 @@ #include "meta_lcao.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" namespace hamilt diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/meta_lcao.h b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/meta_lcao.h index 9ab76b43c9..3d05a85396 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/meta_lcao.h +++ b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/meta_lcao.h @@ -1,6 +1,6 @@ #ifndef METALCAO_H #define METALCAO_H -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_hamilt_lcao/module_gint/gint_gamma.h" #include "module_hamilt_lcao/module_gint/gint_k.h" #include "operator_lcao.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/nonlocal_force_stress.hpp b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/nonlocal_force_stress.hpp index d6999b7ae9..284842ae4d 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/nonlocal_force_stress.hpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/nonlocal_force_stress.hpp @@ -1,7 +1,7 @@ #pragma once #include "nonlocal_new.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" namespace hamilt { diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/nonlocal_new.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/nonlocal_new.cpp index b8afc97987..c25e70bedb 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/nonlocal_new.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/nonlocal_new.cpp @@ -1,7 +1,7 @@ #include "nonlocal_new.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" #include "module_hamilt_lcao/hamilt_lcaodft/operator_lcao/operator_lcao.h" #include "module_hamilt_lcao/module_hcontainer/hcontainer_funcs.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/op_dftu_lcao.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/op_dftu_lcao.cpp index 924dcf1764..d61bc700f0 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/op_dftu_lcao.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/op_dftu_lcao.cpp @@ -1,6 +1,6 @@ #include "op_dftu_lcao.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include "module_hamilt_lcao/module_dftu/dftu.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/op_dftu_lcao.h b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/op_dftu_lcao.h index de40bce4b3..e15f4ae9dd 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/op_dftu_lcao.h +++ b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/op_dftu_lcao.h @@ -1,6 +1,6 @@ #ifndef OPDFTULCAO_H #define OPDFTULCAO_H -#include "module_base/timer.h" +#include "source_base/timer.h" #include "operator_lcao.h" namespace hamilt diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/op_exx_lcao.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/op_exx_lcao.cpp index 4e7b2b553f..aab8a9b822 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/op_exx_lcao.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/op_exx_lcao.cpp @@ -1,6 +1,6 @@ #ifdef __EXX #include "op_exx_lcao.h" -#include "module_base/blacs_connector.h" +#include "source_base/blacs_connector.h" namespace hamilt { diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/operator_lcao.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/operator_lcao.cpp index b108dfcbb6..cb7b1d0169 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/operator_lcao.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/operator_lcao.cpp @@ -1,7 +1,7 @@ #include "operator_lcao.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include "module_hamilt_lcao/module_hcontainer/hcontainer_funcs.h" #include "source_hsolver/hsolver_lcao.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/operator_lcao.h b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/operator_lcao.h index f9ad63c942..8798712ad8 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/operator_lcao.h +++ b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/operator_lcao.h @@ -1,6 +1,6 @@ #ifndef OPERATORLCAO_H #define OPERATORLCAO_H -#include "module_base/vector3.h" +#include "source_base/vector3.h" #include "module_hamilt_general/matrixblock.h" #include "module_hamilt_general/operator.h" #include "module_hamilt_lcao/module_hcontainer/hcontainer.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/overlap_new.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/overlap_new.cpp index b7654aac65..b8663ef949 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/overlap_new.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/overlap_new.cpp @@ -1,8 +1,8 @@ #include "overlap_new.h" #include "module_parameter/parameter.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" #include "module_hamilt_lcao/hamilt_lcaodft/operator_lcao/operator_lcao.h" #include "module_hamilt_lcao/module_hcontainer/hcontainer_funcs.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/td_ekinetic_lcao.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/td_ekinetic_lcao.cpp index 38246abadb..48f0a4ce94 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/td_ekinetic_lcao.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/td_ekinetic_lcao.cpp @@ -1,10 +1,10 @@ #include "td_ekinetic_lcao.h" #include "module_parameter/parameter.h" -#include "module_base/global_variable.h" -#include "module_base/libm/libm.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/global_variable.h" +#include "source_base/libm/libm.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" #include "module_elecstate/module_pot/H_TDDFT_pw.h" #include "module_hamilt_lcao/hamilt_lcaodft/center2_orb-orb11.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/td_ekinetic_lcao.h b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/td_ekinetic_lcao.h index 7f5881ac1f..b1aaa1b8c7 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/td_ekinetic_lcao.h +++ b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/td_ekinetic_lcao.h @@ -1,6 +1,6 @@ #ifndef TDEKINETIC_H #define TDEKINETIC_H -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_basis/module_nao/two_center_integrator.h" #include "module_cell/klist.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/td_nonlocal_lcao.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/td_nonlocal_lcao.cpp index d833c5c358..3720197566 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/td_nonlocal_lcao.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/td_nonlocal_lcao.cpp @@ -1,8 +1,8 @@ #include "td_nonlocal_lcao.h" #include "module_parameter/parameter.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" #include "module_hamilt_lcao/hamilt_lcaodft/operator_lcao/operator_lcao.h" #include "module_hamilt_lcao/module_hcontainer/hcontainer_funcs.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/veff_lcao.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/veff_lcao.cpp index 41fb87f222..be58d8e5fa 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/veff_lcao.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/veff_lcao.cpp @@ -1,7 +1,7 @@ #include "veff_lcao.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_parameter/parameter.h" -#include "module_base/tool_title.h" +#include "source_base/tool_title.h" #include "module_hamilt_general/module_xc/xc_functional.h" #include "module_cell/unitcell.h" #include "module_hamilt_lcao/module_gint/temp_gint/gint_interface.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/veff_lcao.h b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/veff_lcao.h index 23b1ec5c57..0a4d163b78 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/veff_lcao.h +++ b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/veff_lcao.h @@ -1,6 +1,6 @@ #ifndef VEFFLCAO_H #define VEFFLCAO_H -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_elecstate/module_pot/potential_new.h" #include "module_hamilt_lcao/module_gint/gint_gamma.h" #include "module_hamilt_lcao/module_gint/gint_k.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/pulay_force_stress_center2_template.hpp b/source/module_hamilt_lcao/hamilt_lcaodft/pulay_force_stress_center2_template.hpp index e0eedffaad..1aec69f99e 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/pulay_force_stress_center2_template.hpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/pulay_force_stress_center2_template.hpp @@ -1,6 +1,6 @@ #pragma once #include "pulay_force_stress.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_parameter/parameter.h" namespace PulayForceStress { diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/record_adj.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/record_adj.cpp index bd0a9bcfb7..30d03266e2 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/record_adj.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/record_adj.cpp @@ -1,6 +1,6 @@ #include "record_adj.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_parameter/parameter.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/spar_u.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/spar_u.cpp index 4515ea185c..faf554127c 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/spar_u.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/spar_u.cpp @@ -1,8 +1,8 @@ #include "spar_u.h" -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_reduce.h" #include "module_parameter/parameter.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_hamilt_lcao/module_dftu/dftu.h" void sparse_format::cal_HR_dftu( diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/stress_tools.h b/source/module_hamilt_lcao/hamilt_lcaodft/stress_tools.h index 4ae6ed31ee..305870e3d7 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/stress_tools.h +++ b/source/module_hamilt_lcao/hamilt_lcaodft/stress_tools.h @@ -1,5 +1,5 @@ #pragma once -#include "module_base/matrix.h" +#include "source_base/matrix.h" // this namespace used to store global function for some stress operation namespace StressTools { diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/wavefunc_in_pw.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/wavefunc_in_pw.cpp index c35cdce462..566ec2f26d 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/wavefunc_in_pw.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/wavefunc_in_pw.cpp @@ -2,10 +2,10 @@ #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_parameter/parameter.h" #include // Peize Lin fix bug about strcmp 2016-08-02 -#include "module_base/math_integral.h" -#include "module_base/math_sphbes.h" -#include "module_base/math_polyint.h" -#include "module_base/math_ylmreal.h" +#include "source_base/math_integral.h" +#include "source_base/math_sphbes.h" +#include "source_base/math_polyint.h" +#include "source_base/math_ylmreal.h" #include "module_hamilt_pw/hamilt_pwdft/soc.h" void Wavefunc_in_pw::make_table_q( diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/wavefunc_in_pw.h b/source/module_hamilt_lcao/hamilt_lcaodft/wavefunc_in_pw.h index 47cd5f9cff..5522551c68 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/wavefunc_in_pw.h +++ b/source/module_hamilt_lcao/hamilt_lcaodft/wavefunc_in_pw.h @@ -1,11 +1,11 @@ #ifndef WAVEFUNC_IN_PW_H #define WAVEFUNC_IN_PW_H -#include "module_base/complexmatrix.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/realarray.h" -#include "module_base/vector3.h" +#include "source_base/complexmatrix.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/realarray.h" +#include "source_base/vector3.h" #include "module_basis/module_pw/pw_basis_k.h" #include "module_hamilt_pw/hamilt_pwdft/structure_factor.h" diff --git a/source/module_hamilt_lcao/module_deepks/LCAO_deepks.h b/source/module_hamilt_lcao/module_deepks/LCAO_deepks.h index 9e7aec1301..6d628e1f82 100644 --- a/source/module_hamilt_lcao/module_deepks/LCAO_deepks.h +++ b/source/module_hamilt_lcao/module_deepks/LCAO_deepks.h @@ -16,10 +16,10 @@ #include "deepks_vdelta.h" #include "deepks_vdpre.h" #include "deepks_vdrpre.h" -#include "module_base/complexmatrix.h" -#include "module_base/intarray.h" -#include "module_base/matrix.h" -#include "module_base/timer.h" +#include "source_base/complexmatrix.h" +#include "source_base/intarray.h" +#include "source_base/matrix.h" +#include "source_base/timer.h" #include "module_basis/module_ao/parallel_orbitals.h" #include "module_basis/module_nao/two_center_integrator.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" diff --git a/source/module_hamilt_lcao/module_deepks/LCAO_deepks_interface.cpp b/source/module_hamilt_lcao/module_deepks/LCAO_deepks_interface.cpp index bb916434d9..8b953c632a 100644 --- a/source/module_hamilt_lcao/module_deepks/LCAO_deepks_interface.cpp +++ b/source/module_hamilt_lcao/module_deepks/LCAO_deepks_interface.cpp @@ -2,8 +2,8 @@ #include "LCAO_deepks_interface.h" #include "LCAO_deepks_io.h" // mohan add 2024-07-22 -#include "module_base/global_variable.h" -#include "module_base/tool_title.h" +#include "source_base/global_variable.h" +#include "source_base/tool_title.h" #include "module_elecstate/cal_dm.h" #include "module_hamilt_lcao/module_hcontainer/hcontainer.h" #include "module_hamilt_lcao/module_hcontainer/output_hcontainer.h" diff --git a/source/module_hamilt_lcao/module_deepks/LCAO_deepks_interface.h b/source/module_hamilt_lcao/module_deepks/LCAO_deepks_interface.h index a5a87f2089..dc90c47764 100644 --- a/source/module_hamilt_lcao/module_deepks/LCAO_deepks_interface.h +++ b/source/module_hamilt_lcao/module_deepks/LCAO_deepks_interface.h @@ -3,8 +3,8 @@ #ifdef __MLALGO #include "LCAO_deepks.h" -#include "module_base/complexmatrix.h" -#include "module_base/matrix.h" +#include "source_base/complexmatrix.h" +#include "source_base/matrix.h" #include "module_hamilt_lcao/hamilt_lcaodft/hamilt_lcao.h" #include diff --git a/source/module_hamilt_lcao/module_deepks/LCAO_deepks_io.cpp b/source/module_hamilt_lcao/module_deepks/LCAO_deepks_io.cpp index 6f6c28aa43..7dd734a237 100644 --- a/source/module_hamilt_lcao/module_deepks/LCAO_deepks_io.cpp +++ b/source/module_hamilt_lcao/module_deepks/LCAO_deepks_io.cpp @@ -3,7 +3,7 @@ #ifdef __MLALGO #include "LCAO_deepks_io.h" -#include "module_base/tool_quit.h" +#include "source_base/tool_quit.h" #include "npy.hpp" #include diff --git a/source/module_hamilt_lcao/module_deepks/LCAO_deepks_io.h b/source/module_hamilt_lcao/module_deepks/LCAO_deepks_io.h index e8ab04adc4..19a686fae4 100644 --- a/source/module_hamilt_lcao/module_deepks/LCAO_deepks_io.h +++ b/source/module_hamilt_lcao/module_deepks/LCAO_deepks_io.h @@ -3,9 +3,9 @@ #ifdef __MLALGO -#include "module_base/complexmatrix.h" -#include "module_base/matrix.h" -#include "module_base/tool_title.h" +#include "source_base/complexmatrix.h" +#include "source_base/matrix.h" +#include "source_base/tool_title.h" #include #include diff --git a/source/module_hamilt_lcao/module_deepks/deepks_basic.cpp b/source/module_hamilt_lcao/module_deepks/deepks_basic.cpp index 48989c350e..a2195e4c21 100644 --- a/source/module_hamilt_lcao/module_deepks/deepks_basic.cpp +++ b/source/module_hamilt_lcao/module_deepks/deepks_basic.cpp @@ -5,8 +5,8 @@ #ifdef __MLALGO #include "deepks_basic.h" -#include "module_base/atom_in.h" -#include "module_base/timer.h" +#include "source_base/atom_in.h" +#include "source_base/timer.h" #include "module_parameter/parameter.h" // d(Descriptor) / d(projected density matrix) diff --git a/source/module_hamilt_lcao/module_deepks/deepks_basic.h b/source/module_hamilt_lcao/module_deepks/deepks_basic.h index 5b0deb521d..e054390850 100644 --- a/source/module_hamilt_lcao/module_deepks/deepks_basic.h +++ b/source/module_hamilt_lcao/module_deepks/deepks_basic.h @@ -3,8 +3,8 @@ #ifdef __MLALGO #include "LCAO_deepks_io.h" -#include "module_base/parallel_reduce.h" -#include "module_base/tool_title.h" +#include "source_base/parallel_reduce.h" +#include "source_base/tool_title.h" #include "module_cell/unitcell.h" #include diff --git a/source/module_hamilt_lcao/module_deepks/deepks_descriptor.cpp b/source/module_hamilt_lcao/module_deepks/deepks_descriptor.cpp index 02dbcdd5b3..ddfd91ae3d 100644 --- a/source/module_hamilt_lcao/module_deepks/deepks_descriptor.cpp +++ b/source/module_hamilt_lcao/module_deepks/deepks_descriptor.cpp @@ -8,10 +8,10 @@ #include "deepks_descriptor.h" #include "LCAO_deepks_io.h" // mohan add 2024-07-22 -#include "module_base/blas_connector.h" -#include "module_base/constants.h" -#include "module_base/libm/libm.h" -#include "module_base/parallel_reduce.h" +#include "source_base/blas_connector.h" +#include "source_base/constants.h" +#include "source_base/libm/libm.h" +#include "source_base/parallel_reduce.h" #include "module_hamilt_lcao/module_hcontainer/atom_pair.h" #include "module_parameter/parameter.h" diff --git a/source/module_hamilt_lcao/module_deepks/deepks_descriptor.h b/source/module_hamilt_lcao/module_deepks/deepks_descriptor.h index 67b6b05e20..9316ddd675 100644 --- a/source/module_hamilt_lcao/module_deepks/deepks_descriptor.h +++ b/source/module_hamilt_lcao/module_deepks/deepks_descriptor.h @@ -3,8 +3,8 @@ #ifdef __MLALGO -#include "module_base/intarray.h" -#include "module_base/timer.h" +#include "source_base/intarray.h" +#include "source_base/timer.h" #include "module_cell/unitcell.h" #include diff --git a/source/module_hamilt_lcao/module_deepks/deepks_force.cpp b/source/module_hamilt_lcao/module_deepks/deepks_force.cpp index 8c3e5e532c..8c9e9d2e48 100644 --- a/source/module_hamilt_lcao/module_deepks/deepks_force.cpp +++ b/source/module_hamilt_lcao/module_deepks/deepks_force.cpp @@ -4,10 +4,10 @@ #include "deepks_force.h" #include "deepks_iterate.h" -#include "module_base/constants.h" -#include "module_base/libm/libm.h" -#include "module_base/timer.h" -#include "module_base/vector3.h" +#include "source_base/constants.h" +#include "source_base/libm/libm.h" +#include "source_base/timer.h" +#include "source_base/vector3.h" #include "module_hamilt_lcao/module_hcontainer/atom_pair.h" template diff --git a/source/module_hamilt_lcao/module_deepks/deepks_force.h b/source/module_hamilt_lcao/module_deepks/deepks_force.h index d0a24334db..92c73091b9 100644 --- a/source/module_hamilt_lcao/module_deepks/deepks_force.h +++ b/source/module_hamilt_lcao/module_deepks/deepks_force.h @@ -3,10 +3,10 @@ #ifdef __MLALGO -#include "module_base/complexmatrix.h" -#include "module_base/intarray.h" -#include "module_base/matrix.h" -#include "module_base/timer.h" +#include "source_base/complexmatrix.h" +#include "source_base/intarray.h" +#include "source_base/matrix.h" +#include "source_base/timer.h" #include "module_basis/module_ao/parallel_orbitals.h" #include "module_basis/module_nao/two_center_integrator.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" diff --git a/source/module_hamilt_lcao/module_deepks/deepks_fpre.cpp b/source/module_hamilt_lcao/module_deepks/deepks_fpre.cpp index ea08e66c97..9bb1a3e12e 100644 --- a/source/module_hamilt_lcao/module_deepks/deepks_fpre.cpp +++ b/source/module_hamilt_lcao/module_deepks/deepks_fpre.cpp @@ -3,11 +3,11 @@ #include "deepks_fpre.h" #include "deepks_iterate.h" -#include "module_base/constants.h" -#include "module_base/libm/libm.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" -#include "module_base/vector3.h" +#include "source_base/constants.h" +#include "source_base/libm/libm.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" +#include "source_base/vector3.h" #include "module_hamilt_lcao/module_hcontainer/atom_pair.h" #include "module_parameter/parameter.h" diff --git a/source/module_hamilt_lcao/module_deepks/deepks_fpre.h b/source/module_hamilt_lcao/module_deepks/deepks_fpre.h index a2c324047a..9d1baa38dc 100644 --- a/source/module_hamilt_lcao/module_deepks/deepks_fpre.h +++ b/source/module_hamilt_lcao/module_deepks/deepks_fpre.h @@ -3,10 +3,10 @@ #ifdef __MLALGO -#include "module_base/complexmatrix.h" -#include "module_base/intarray.h" -#include "module_base/matrix.h" -#include "module_base/timer.h" +#include "source_base/complexmatrix.h" +#include "source_base/intarray.h" +#include "source_base/matrix.h" +#include "source_base/timer.h" #include "module_basis/module_ao/parallel_orbitals.h" #include "module_basis/module_nao/two_center_integrator.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" diff --git a/source/module_hamilt_lcao/module_deepks/deepks_iterate.h b/source/module_hamilt_lcao/module_deepks/deepks_iterate.h index d41aa0b0b6..d6e7b81819 100644 --- a/source/module_hamilt_lcao/module_deepks/deepks_iterate.h +++ b/source/module_hamilt_lcao/module_deepks/deepks_iterate.h @@ -5,11 +5,11 @@ #ifdef __MLALGO -#include "module_base/complexmatrix.h" -#include "module_base/intarray.h" -#include "module_base/matrix.h" -#include "module_base/timer.h" -#include "module_base/vector3.h" +#include "source_base/complexmatrix.h" +#include "source_base/intarray.h" +#include "source_base/matrix.h" +#include "source_base/timer.h" +#include "source_base/vector3.h" #include "module_basis/module_ao/ORB_read.h" #include "module_basis/module_ao/parallel_orbitals.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" diff --git a/source/module_hamilt_lcao/module_deepks/deepks_orbital.cpp b/source/module_hamilt_lcao/module_deepks/deepks_orbital.cpp index 8e3cf7f15f..7097a3e242 100644 --- a/source/module_hamilt_lcao/module_deepks/deepks_orbital.cpp +++ b/source/module_hamilt_lcao/module_deepks/deepks_orbital.cpp @@ -3,8 +3,8 @@ #ifdef __MLALGO #include "deepks_orbital.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" template void DeePKS_domain::cal_o_delta(const std::vector& dm_hl, diff --git a/source/module_hamilt_lcao/module_deepks/deepks_orbital.h b/source/module_hamilt_lcao/module_deepks/deepks_orbital.h index 5270d48489..6fb0d22fff 100644 --- a/source/module_hamilt_lcao/module_deepks/deepks_orbital.h +++ b/source/module_hamilt_lcao/module_deepks/deepks_orbital.h @@ -3,10 +3,10 @@ #ifdef __MLALGO -#include "module_base/complexmatrix.h" -#include "module_base/intarray.h" -#include "module_base/matrix.h" -#include "module_base/timer.h" +#include "source_base/complexmatrix.h" +#include "source_base/intarray.h" +#include "source_base/matrix.h" +#include "source_base/timer.h" #include "module_basis/module_ao/parallel_orbitals.h" #include "module_elecstate/module_dm/density_matrix.h" diff --git a/source/module_hamilt_lcao/module_deepks/deepks_orbpre.cpp b/source/module_hamilt_lcao/module_deepks/deepks_orbpre.cpp index 0042c77b89..6957a86534 100644 --- a/source/module_hamilt_lcao/module_deepks/deepks_orbpre.cpp +++ b/source/module_hamilt_lcao/module_deepks/deepks_orbpre.cpp @@ -7,10 +7,10 @@ #include "deepks_orbpre.h" #include "LCAO_deepks_io.h" // mohan add 2024-07-22 -#include "module_base/blas_connector.h" -#include "module_base/constants.h" -#include "module_base/libm/libm.h" -#include "module_base/parallel_reduce.h" +#include "source_base/blas_connector.h" +#include "source_base/constants.h" +#include "source_base/libm/libm.h" +#include "source_base/parallel_reduce.h" #include "module_hamilt_lcao/module_hcontainer/atom_pair.h" #include "module_parameter/parameter.h" diff --git a/source/module_hamilt_lcao/module_deepks/deepks_orbpre.h b/source/module_hamilt_lcao/module_deepks/deepks_orbpre.h index 6461a1723b..af48cf63c7 100644 --- a/source/module_hamilt_lcao/module_deepks/deepks_orbpre.h +++ b/source/module_hamilt_lcao/module_deepks/deepks_orbpre.h @@ -3,10 +3,10 @@ #ifdef __MLALGO -#include "module_base/complexmatrix.h" -#include "module_base/intarray.h" -#include "module_base/matrix.h" -#include "module_base/timer.h" +#include "source_base/complexmatrix.h" +#include "source_base/intarray.h" +#include "source_base/matrix.h" +#include "source_base/timer.h" #include "module_basis/module_ao/parallel_orbitals.h" #include "module_basis/module_nao/two_center_integrator.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" diff --git a/source/module_hamilt_lcao/module_deepks/deepks_pdm.cpp b/source/module_hamilt_lcao/module_deepks/deepks_pdm.cpp index 13befa807f..57b7791e0d 100644 --- a/source/module_hamilt_lcao/module_deepks/deepks_pdm.cpp +++ b/source/module_hamilt_lcao/module_deepks/deepks_pdm.cpp @@ -17,12 +17,12 @@ #include "deepks_iterate.h" #include "deepks_pdm.h" -#include "module_base/constants.h" -#include "module_base/libm/libm.h" -#include "module_base/timer.h" +#include "source_base/constants.h" +#include "source_base/libm/libm.h" +#include "source_base/timer.h" #include "module_hamilt_lcao/module_hcontainer/atom_pair.h" #ifdef __MPI -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_reduce.h" #endif void DeePKS_domain::read_pdm(bool read_pdm_file, diff --git a/source/module_hamilt_lcao/module_deepks/deepks_pdm.h b/source/module_hamilt_lcao/module_deepks/deepks_pdm.h index 8aec2a3bab..23f511aed7 100644 --- a/source/module_hamilt_lcao/module_deepks/deepks_pdm.h +++ b/source/module_hamilt_lcao/module_deepks/deepks_pdm.h @@ -3,9 +3,9 @@ #ifdef __MLALGO -#include "module_base/complexmatrix.h" -#include "module_base/matrix.h" -#include "module_base/timer.h" +#include "source_base/complexmatrix.h" +#include "source_base/matrix.h" +#include "source_base/timer.h" #include "module_basis/module_ao/parallel_orbitals.h" #include "module_elecstate/module_dm/density_matrix.h" #include "module_hamilt_lcao/module_hcontainer/hcontainer.h" diff --git a/source/module_hamilt_lcao/module_deepks/deepks_phialpha.cpp b/source/module_hamilt_lcao/module_deepks/deepks_phialpha.cpp index 316bc67291..88e6a37565 100644 --- a/source/module_hamilt_lcao/module_deepks/deepks_phialpha.cpp +++ b/source/module_hamilt_lcao/module_deepks/deepks_phialpha.cpp @@ -11,8 +11,8 @@ #include "deepks_phialpha.h" #include "deepks_iterate.h" -#include "module_base/timer.h" -#include "module_base/vector3.h" +#include "source_base/timer.h" +#include "source_base/vector3.h" #include "module_parameter/parameter.h" void DeePKS_domain::allocate_phialpha(const bool& cal_deri, diff --git a/source/module_hamilt_lcao/module_deepks/deepks_phialpha.h b/source/module_hamilt_lcao/module_deepks/deepks_phialpha.h index c466fdba27..37b7a7bdf6 100644 --- a/source/module_hamilt_lcao/module_deepks/deepks_phialpha.h +++ b/source/module_hamilt_lcao/module_deepks/deepks_phialpha.h @@ -3,9 +3,9 @@ #ifdef __MLALGO -#include "module_base/complexmatrix.h" -#include "module_base/matrix.h" -#include "module_base/timer.h" +#include "source_base/complexmatrix.h" +#include "source_base/matrix.h" +#include "source_base/timer.h" #include "module_basis/module_ao/parallel_orbitals.h" #include "module_basis/module_nao/two_center_integrator.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" diff --git a/source/module_hamilt_lcao/module_deepks/deepks_spre.cpp b/source/module_hamilt_lcao/module_deepks/deepks_spre.cpp index 1865bca2d8..35c393f2f1 100644 --- a/source/module_hamilt_lcao/module_deepks/deepks_spre.cpp +++ b/source/module_hamilt_lcao/module_deepks/deepks_spre.cpp @@ -3,11 +3,11 @@ #include "deepks_spre.h" #include "deepks_iterate.h" -#include "module_base/constants.h" -#include "module_base/libm/libm.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" -#include "module_base/vector3.h" +#include "source_base/constants.h" +#include "source_base/libm/libm.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" +#include "source_base/vector3.h" #include "module_hamilt_lcao/module_hcontainer/atom_pair.h" #include "module_parameter/parameter.h" diff --git a/source/module_hamilt_lcao/module_deepks/deepks_spre.h b/source/module_hamilt_lcao/module_deepks/deepks_spre.h index a95a041aca..699a3dc8e8 100644 --- a/source/module_hamilt_lcao/module_deepks/deepks_spre.h +++ b/source/module_hamilt_lcao/module_deepks/deepks_spre.h @@ -3,10 +3,10 @@ #ifdef __MLALGO -#include "module_base/complexmatrix.h" -#include "module_base/intarray.h" -#include "module_base/matrix.h" -#include "module_base/timer.h" +#include "source_base/complexmatrix.h" +#include "source_base/intarray.h" +#include "source_base/matrix.h" +#include "source_base/timer.h" #include "module_basis/module_ao/parallel_orbitals.h" #include "module_basis/module_nao/two_center_integrator.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" diff --git a/source/module_hamilt_lcao/module_deepks/deepks_vdelta.cpp b/source/module_hamilt_lcao/module_deepks/deepks_vdelta.cpp index bdfb1454f8..4a2f156eda 100644 --- a/source/module_hamilt_lcao/module_deepks/deepks_vdelta.cpp +++ b/source/module_hamilt_lcao/module_deepks/deepks_vdelta.cpp @@ -11,10 +11,10 @@ #ifdef __MLALGO #include "deepks_vdelta.h" -#include "module_base/global_function.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/global_function.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include "module_hamilt_lcao/hamilt_lcaodft/hamilt_lcao.h" // calculating sum of correction band energies diff --git a/source/module_hamilt_lcao/module_deepks/deepks_vdelta.h b/source/module_hamilt_lcao/module_deepks/deepks_vdelta.h index 8cfd71f444..a21d697df3 100644 --- a/source/module_hamilt_lcao/module_deepks/deepks_vdelta.h +++ b/source/module_hamilt_lcao/module_deepks/deepks_vdelta.h @@ -2,8 +2,8 @@ #define DEEPKS_VDELTA_H #ifdef __MLALGO -#include "module_base/complexmatrix.h" -#include "module_base/matrix.h" +#include "source_base/complexmatrix.h" +#include "source_base/matrix.h" #include "module_basis/module_ao/parallel_orbitals.h" // break the circular dependency of HamiltLCAO diff --git a/source/module_hamilt_lcao/module_deepks/deepks_vdpre.cpp b/source/module_hamilt_lcao/module_deepks/deepks_vdpre.cpp index a5942885ac..bb355837b8 100644 --- a/source/module_hamilt_lcao/module_deepks/deepks_vdpre.cpp +++ b/source/module_hamilt_lcao/module_deepks/deepks_vdpre.cpp @@ -10,10 +10,10 @@ #include "LCAO_deepks_io.h" // mohan add 2024-07-22 #include "deepks_iterate.h" -#include "module_base/blas_connector.h" -#include "module_base/constants.h" -#include "module_base/libm/libm.h" -#include "module_base/parallel_reduce.h" +#include "source_base/blas_connector.h" +#include "source_base/constants.h" +#include "source_base/libm/libm.h" +#include "source_base/parallel_reduce.h" #include "module_hamilt_lcao/module_hcontainer/atom_pair.h" #include "module_parameter/parameter.h" diff --git a/source/module_hamilt_lcao/module_deepks/deepks_vdpre.h b/source/module_hamilt_lcao/module_deepks/deepks_vdpre.h index d9800c4eec..6d1e741803 100644 --- a/source/module_hamilt_lcao/module_deepks/deepks_vdpre.h +++ b/source/module_hamilt_lcao/module_deepks/deepks_vdpre.h @@ -3,10 +3,10 @@ #ifdef __MLALGO -#include "module_base/complexmatrix.h" -#include "module_base/intarray.h" -#include "module_base/matrix.h" -#include "module_base/timer.h" +#include "source_base/complexmatrix.h" +#include "source_base/intarray.h" +#include "source_base/matrix.h" +#include "source_base/timer.h" #include "module_basis/module_ao/parallel_orbitals.h" #include "module_basis/module_nao/two_center_integrator.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" diff --git a/source/module_hamilt_lcao/module_deepks/deepks_vdrpre.cpp b/source/module_hamilt_lcao/module_deepks/deepks_vdrpre.cpp index 3dc97b72c2..5e3b7e881a 100644 --- a/source/module_hamilt_lcao/module_deepks/deepks_vdrpre.cpp +++ b/source/module_hamilt_lcao/module_deepks/deepks_vdrpre.cpp @@ -6,10 +6,10 @@ #include "LCAO_deepks_io.h" // mohan add 2024-07-22 #include "deepks_iterate.h" -#include "module_base/blas_connector.h" -#include "module_base/constants.h" -#include "module_base/libm/libm.h" -#include "module_base/parallel_reduce.h" +#include "source_base/blas_connector.h" +#include "source_base/constants.h" +#include "source_base/libm/libm.h" +#include "source_base/parallel_reduce.h" #include "module_hamilt_lcao/module_hcontainer/atom_pair.h" #include "module_parameter/parameter.h" diff --git a/source/module_hamilt_lcao/module_deepks/deepks_vdrpre.h b/source/module_hamilt_lcao/module_deepks/deepks_vdrpre.h index 11a5daaf7a..01cb02c4d4 100644 --- a/source/module_hamilt_lcao/module_deepks/deepks_vdrpre.h +++ b/source/module_hamilt_lcao/module_deepks/deepks_vdrpre.h @@ -3,10 +3,10 @@ #ifdef __MLALGO -#include "module_base/complexmatrix.h" -#include "module_base/intarray.h" -#include "module_base/matrix.h" -#include "module_base/timer.h" +#include "source_base/complexmatrix.h" +#include "source_base/intarray.h" +#include "source_base/matrix.h" +#include "source_base/timer.h" #include "module_basis/module_ao/parallel_orbitals.h" #include "module_basis/module_nao/two_center_integrator.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" diff --git a/source/module_hamilt_lcao/module_deepks/test/LCAO_deepks_test.h b/source/module_hamilt_lcao/module_deepks/test/LCAO_deepks_test.h index f1d99a0b09..27f98785a0 100644 --- a/source/module_hamilt_lcao/module_deepks/test/LCAO_deepks_test.h +++ b/source/module_hamilt_lcao/module_deepks/test/LCAO_deepks_test.h @@ -1,6 +1,6 @@ #include "klist.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" #include "module_basis/module_ao/ORB_read.h" #include "module_cell/module_neighbor/sltk_atom_arrange.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" diff --git a/source/module_hamilt_lcao/module_deepks/test/LCAO_deepks_test_prep.cpp b/source/module_hamilt_lcao/module_deepks/test/LCAO_deepks_test_prep.cpp index d4924ece85..076544100c 100644 --- a/source/module_hamilt_lcao/module_deepks/test/LCAO_deepks_test_prep.cpp +++ b/source/module_hamilt_lcao/module_deepks/test/LCAO_deepks_test_prep.cpp @@ -1,5 +1,5 @@ #include "LCAO_deepks_test.h" -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" #define private public #include "module_parameter/parameter.h" #undef private diff --git a/source/module_hamilt_lcao/module_deepks/test/Makefile b/source/module_hamilt_lcao/module_deepks/test/Makefile index 34553c1c72..099b23fda2 100644 --- a/source/module_hamilt_lcao/module_deepks/test/Makefile +++ b/source/module_hamilt_lcao/module_deepks/test/Makefile @@ -46,7 +46,7 @@ OPTS = ${INCLUDES} -Ofast -std=c++14 -march=native -xHost -m64 -qopenmp -Werror include Makefile.Objects VPATH=../../../source_main\ -:../../module_base\ +:../../source_base\ :../../module_io\ :../../module_hamilt_pw/hamilt_pwdft\ :../../module_basis/module_ao\ diff --git a/source/module_hamilt_lcao/module_deepks/test/klist.h b/source/module_hamilt_lcao/module_deepks/test/klist.h index e4fa22b0d7..3f63ed54a9 100644 --- a/source/module_hamilt_lcao/module_deepks/test/klist.h +++ b/source/module_hamilt_lcao/module_deepks/test/klist.h @@ -1,10 +1,10 @@ ///klist : adapted from klist from module_hamilt_pw/hamilt_pwdft ///deals with k point sampling -#include "module_base/vector3.h" -#include "module_base/matrix3.h" -#include "module_base/memory.h" -#include "module_base/global_function.h" +#include "source_base/vector3.h" +#include "source_base/matrix3.h" +#include "source_base/memory.h" +#include "source_base/global_function.h" #include #include diff --git a/source/module_hamilt_lcao/module_deepks/test/parallel_orbitals.h b/source/module_hamilt_lcao/module_deepks/test/parallel_orbitals.h index b3a9148e06..d301ca3183 100644 --- a/source/module_hamilt_lcao/module_deepks/test/parallel_orbitals.h +++ b/source/module_hamilt_lcao/module_deepks/test/parallel_orbitals.h @@ -1,9 +1,9 @@ ///adapted from parallel_orbitals from module_basis/module_ao ///deals with the parallelization of atomic basis -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/memory.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/memory.h" namespace Test_Deepks { diff --git a/source/module_hamilt_lcao/module_deltaspin/basic_funcs.cpp b/source/module_hamilt_lcao/module_deltaspin/basic_funcs.cpp index 0e47397e9d..343b2b37a7 100644 --- a/source/module_hamilt_lcao/module_deltaspin/basic_funcs.cpp +++ b/source/module_hamilt_lcao/module_deltaspin/basic_funcs.cpp @@ -1,8 +1,8 @@ #include "basic_funcs.h" #include -#include "module_base/formatter.h" -#include "module_base/constants.h" +#include "source_base/formatter.h" +#include "source_base/constants.h" double maxval_abs_2d(const std::vector>& array) { diff --git a/source/module_hamilt_lcao/module_deltaspin/basic_funcs.h b/source/module_hamilt_lcao/module_deltaspin/basic_funcs.h index eb81a782cb..b1de060c4b 100644 --- a/source/module_hamilt_lcao/module_deltaspin/basic_funcs.h +++ b/source/module_hamilt_lcao/module_deltaspin/basic_funcs.h @@ -5,7 +5,7 @@ #include #include -#include "module_base/vector3.h" +#include "source_base/vector3.h" /** * @brief Find the maximum absolute value in a 2D array. diff --git a/source/module_hamilt_lcao/module_deltaspin/cal_mw.cpp b/source/module_hamilt_lcao/module_deltaspin/cal_mw.cpp index 25b2e4e879..97097bfd3c 100644 --- a/source/module_hamilt_lcao/module_deltaspin/cal_mw.cpp +++ b/source/module_hamilt_lcao/module_deltaspin/cal_mw.cpp @@ -1,10 +1,10 @@ #include -#include "module_base/matrix.h" -#include "module_base/name_angular.h" -#include "module_base/scalapack_connector.h" -#include "module_base/tool_title.h" -#include "module_base/timer.h" +#include "source_base/matrix.h" +#include "source_base/name_angular.h" +#include "source_base/scalapack_connector.h" +#include "source_base/tool_title.h" +#include "source_base/timer.h" #include "module_hamilt_pw/hamilt_pwdft/onsite_projector.h" #include "spin_constrain.h" #include "module_parameter/parameter.h" diff --git a/source/module_hamilt_lcao/module_deltaspin/cal_mw_from_lambda.cpp b/source/module_hamilt_lcao/module_deltaspin/cal_mw_from_lambda.cpp index 2721c30965..33e6abf42c 100644 --- a/source/module_hamilt_lcao/module_deltaspin/cal_mw_from_lambda.cpp +++ b/source/module_hamilt_lcao/module_deltaspin/cal_mw_from_lambda.cpp @@ -1,11 +1,11 @@ -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include "source_hsolver/diago_iter_assist.h" #include "module_parameter/parameter.h" #include "spin_constrain.h" #include "module_hamilt_pw/hamilt_pwdft/onsite_projector.h" -#include "module_base/parallel_reduce.h" -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/parallel_reduce.h" +#include "source_base/kernels/math_kernel_op.h" #include "source_hsolver/hsolver_lcao.h" #include "source_hsolver/hsolver_pw.h" #include "module_elecstate/elecstate_pw.h" diff --git a/source/module_hamilt_lcao/module_deltaspin/spin_constrain.cpp b/source/module_hamilt_lcao/module_deltaspin/spin_constrain.cpp index 30500ccca9..fb21e1ab7c 100644 --- a/source/module_hamilt_lcao/module_deltaspin/spin_constrain.cpp +++ b/source/module_hamilt_lcao/module_deltaspin/spin_constrain.cpp @@ -1,6 +1,6 @@ #include "spin_constrain.h" -#include "module_base/formatter.h" +#include "source_base/formatter.h" #include "module_hamilt_lcao/hamilt_lcaodft/operator_lcao/dspin_lcao.h" #include diff --git a/source/module_hamilt_lcao/module_deltaspin/spin_constrain.h b/source/module_hamilt_lcao/module_deltaspin/spin_constrain.h index 2e7cf6c8db..3877be8507 100644 --- a/source/module_hamilt_lcao/module_deltaspin/spin_constrain.h +++ b/source/module_hamilt_lcao/module_deltaspin/spin_constrain.h @@ -4,10 +4,10 @@ #include #include -#include "module_base/constants.h" -#include "module_base/tool_quit.h" -#include "module_base/tool_title.h" -#include "module_base/vector3.h" +#include "source_base/constants.h" +#include "source_base/tool_quit.h" +#include "source_base/tool_title.h" +#include "source_base/vector3.h" #include "module_basis/module_ao/parallel_orbitals.h" #include "module_cell/klist.h" #include "module_cell/unitcell.h" diff --git a/source/module_hamilt_lcao/module_deltaspin/test/prepare_unitcell.h b/source/module_hamilt_lcao/module_deltaspin/test/prepare_unitcell.h index 9f94cbfd86..0b280cd2ac 100644 --- a/source/module_hamilt_lcao/module_deltaspin/test/prepare_unitcell.h +++ b/source/module_hamilt_lcao/module_deltaspin/test/prepare_unitcell.h @@ -2,7 +2,7 @@ #define PREPARE_UNITCELL_H #include #include -#include "module_base/mathzone.h" +#include "source_base/mathzone.h" class UcellTestPrepare { diff --git a/source/module_hamilt_lcao/module_dftu/dftu.cpp b/source/module_hamilt_lcao/module_dftu/dftu.cpp index 751a9f05fd..50e2fb9a3a 100644 --- a/source/module_hamilt_lcao/module_dftu/dftu.cpp +++ b/source/module_hamilt_lcao/module_dftu/dftu.cpp @@ -1,12 +1,12 @@ #include "dftu.h" #include "module_parameter/parameter.h" -#include "module_base/constants.h" -#include "module_base/global_function.h" -#include "module_base/inverse_matrix.h" -#include "module_base/memory.h" -#include "module_base/scalapack_connector.h" -#include "module_base/timer.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" +#include "source_base/inverse_matrix.h" +#include "source_base/memory.h" +#include "source_base/scalapack_connector.h" +#include "source_base/timer.h" #include "module_elecstate/magnetism.h" #include "module_elecstate/module_charge/charge.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/module_hamilt_lcao/module_dftu/dftu_folding.cpp b/source/module_hamilt_lcao/module_dftu/dftu_folding.cpp index ee3b641384..a5902a7078 100644 --- a/source/module_hamilt_lcao/module_dftu/dftu_folding.cpp +++ b/source/module_hamilt_lcao/module_dftu/dftu_folding.cpp @@ -1,6 +1,6 @@ #ifdef __LCAO #include "dftu.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_parameter/parameter.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" diff --git a/source/module_hamilt_lcao/module_dftu/dftu_force.cpp b/source/module_hamilt_lcao/module_dftu/dftu_force.cpp index f4423f623d..1b130294fd 100644 --- a/source/module_hamilt_lcao/module_dftu/dftu_force.cpp +++ b/source/module_hamilt_lcao/module_dftu/dftu_force.cpp @@ -5,11 +5,11 @@ //========================================================== #ifdef __LCAO #include "dftu.h" -#include "module_base/constants.h" -#include "module_base/global_function.h" -#include "module_base/inverse_matrix.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" +#include "source_base/inverse_matrix.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" #include "module_elecstate/elecstate_lcao.h" #include "module_elecstate/magnetism.h" #include "module_elecstate/module_charge/charge.h" diff --git a/source/module_hamilt_lcao/module_dftu/dftu_hamilt.cpp b/source/module_hamilt_lcao/module_dftu/dftu_hamilt.cpp index 90d781ae9c..b29ea4fa3b 100644 --- a/source/module_hamilt_lcao/module_dftu/dftu_hamilt.cpp +++ b/source/module_hamilt_lcao/module_dftu/dftu_hamilt.cpp @@ -1,7 +1,7 @@ #include "dftu.h" -#include "module_base/scalapack_connector.h" +#include "source_base/scalapack_connector.h" #include "module_parameter/parameter.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" namespace ModuleDFTU diff --git a/source/module_hamilt_lcao/module_dftu/dftu_io.cpp b/source/module_hamilt_lcao/module_dftu/dftu_io.cpp index 0a1c79b247..78b96946a7 100644 --- a/source/module_hamilt_lcao/module_dftu/dftu_io.cpp +++ b/source/module_hamilt_lcao/module_dftu/dftu_io.cpp @@ -1,5 +1,5 @@ #include "dftu.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_parameter/parameter.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/module_hamilt_lcao/module_dftu/dftu_occup.cpp b/source/module_hamilt_lcao/module_dftu/dftu_occup.cpp index 0a2c80ddf4..78916a951c 100644 --- a/source/module_hamilt_lcao/module_dftu/dftu_occup.cpp +++ b/source/module_hamilt_lcao/module_dftu/dftu_occup.cpp @@ -1,11 +1,11 @@ #include "dftu.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_parameter/parameter.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #ifdef __LCAO #include "module_hamilt_lcao/hamilt_lcaodft/hamilt_lcao.h" #endif -#include "module_base/scalapack_connector.h" +#include "source_base/scalapack_connector.h" namespace ModuleDFTU { diff --git a/source/module_hamilt_lcao/module_dftu/dftu_pw.cpp b/source/module_hamilt_lcao/module_dftu/dftu_pw.cpp index 0ae2588625..817bd61e87 100644 --- a/source/module_hamilt_lcao/module_dftu/dftu_pw.cpp +++ b/source/module_hamilt_lcao/module_dftu/dftu_pw.cpp @@ -1,8 +1,8 @@ #include "dftu.h" #include "module_hamilt_pw/hamilt_pwdft/onsite_projector.h" -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_reduce.h" #include "module_parameter/parameter.h" -#include "module_base/timer.h" +#include "source_base/timer.h" namespace ModuleDFTU diff --git a/source/module_hamilt_lcao/module_dftu/dftu_tools.cpp b/source/module_hamilt_lcao/module_dftu/dftu_tools.cpp index e7d78704d7..40a7e8365b 100644 --- a/source/module_hamilt_lcao/module_dftu/dftu_tools.cpp +++ b/source/module_hamilt_lcao/module_dftu/dftu_tools.cpp @@ -1,5 +1,5 @@ #include "dftu.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_parameter/parameter.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/module_hamilt_lcao/module_dftu/dftu_yukawa.cpp b/source/module_hamilt_lcao/module_dftu/dftu_yukawa.cpp index 7845fe9963..d066728aab 100644 --- a/source/module_hamilt_lcao/module_dftu/dftu_yukawa.cpp +++ b/source/module_hamilt_lcao/module_dftu/dftu_yukawa.cpp @@ -4,8 +4,8 @@ #include "module_parameter/parameter.h" // DATE : 2019-12-10 //========================================================== -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "dftu.h" diff --git a/source/module_hamilt_lcao/module_gint/cal_ddpsir_ylm.cpp b/source/module_hamilt_lcao/module_gint/cal_ddpsir_ylm.cpp index ea785361f1..206c6f95e8 100644 --- a/source/module_hamilt_lcao/module_gint/cal_ddpsir_ylm.cpp +++ b/source/module_hamilt_lcao/module_gint/cal_ddpsir_ylm.cpp @@ -1,6 +1,6 @@ #include "gint_tools.h" -#include "module_base/timer.h" -#include "module_base/ylm.h" +#include "source_base/timer.h" +#include "source_base/ylm.h" namespace Gint_Tools{ void cal_ddpsir_ylm( const Grid_Technique& gt, const int bxyz, diff --git a/source/module_hamilt_lcao/module_gint/cal_dpsir_ylm.cpp b/source/module_hamilt_lcao/module_gint/cal_dpsir_ylm.cpp index 494ffb85f5..8b32b2fc05 100644 --- a/source/module_hamilt_lcao/module_gint/cal_dpsir_ylm.cpp +++ b/source/module_hamilt_lcao/module_gint/cal_dpsir_ylm.cpp @@ -1,7 +1,7 @@ #include "gint_tools.h" -#include "module_base/timer.h" -#include "module_base/ylm.h" -#include "module_base/array_pool.h" +#include "source_base/timer.h" +#include "source_base/ylm.h" +#include "source_base/array_pool.h" namespace Gint_Tools{ void cal_dpsir_ylm( const Grid_Technique& gt, const int bxyz, diff --git a/source/module_hamilt_lcao/module_gint/cal_psir_ylm.cpp b/source/module_hamilt_lcao/module_gint/cal_psir_ylm.cpp index 0eb9b16e6b..4eeedd19a5 100644 --- a/source/module_hamilt_lcao/module_gint/cal_psir_ylm.cpp +++ b/source/module_hamilt_lcao/module_gint/cal_psir_ylm.cpp @@ -1,6 +1,6 @@ #include "gint_tools.h" -#include "module_base/timer.h" -#include "module_base/ylm.h" +#include "source_base/timer.h" +#include "source_base/ylm.h" namespace Gint_Tools{ void cal_psir_ylm( const Grid_Technique& gt, diff --git a/source/module_hamilt_lcao/module_gint/gint.cpp b/source/module_hamilt_lcao/module_gint/gint.cpp index 6ee4c238d1..e764eaf8a8 100644 --- a/source/module_hamilt_lcao/module_gint/gint.cpp +++ b/source/module_hamilt_lcao/module_gint/gint.cpp @@ -7,8 +7,8 @@ #include "gint_vl_gpu.h" #endif -#include "module_base/memory.h" -#include "module_base/timer.h" +#include "source_base/memory.h" +#include "source_base/timer.h" #include "module_basis/module_ao/ORB_read.h" #include "module_hamilt_lcao/module_hcontainer/hcontainer_funcs.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/module_hamilt_lcao/module_gint/gint_force_cpu_interface.cpp b/source/module_hamilt_lcao/module_gint/gint_force_cpu_interface.cpp index b024bca4d8..e3b6a30077 100644 --- a/source/module_hamilt_lcao/module_gint/gint_force_cpu_interface.cpp +++ b/source/module_hamilt_lcao/module_gint/gint_force_cpu_interface.cpp @@ -1,6 +1,6 @@ #include "gint.h" -#include "module_base/memory.h" -#include "module_base/timer.h" +#include "source_base/memory.h" +#include "source_base/timer.h" void Gint::gint_kernel_force(Gint_inout* inout) { ModuleBase::TITLE("Gint_interface", "cal_gint_force"); diff --git a/source/module_hamilt_lcao/module_gint/gint_force_gpu.cu b/source/module_hamilt_lcao/module_gint/gint_force_gpu.cu index 9cb3e785c4..cb3390aacc 100644 --- a/source/module_hamilt_lcao/module_gint/gint_force_gpu.cu +++ b/source/module_hamilt_lcao/module_gint/gint_force_gpu.cu @@ -5,7 +5,7 @@ #include "gint_force_gpu.h" #include "kernels/cuda/cuda_tools.cuh" #include "kernels/cuda/gint_force.cuh" -#include "module_base/ylm.h" +#include "source_base/ylm.h" #include "gint_tools.h" namespace GintKernel diff --git a/source/module_hamilt_lcao/module_gint/gint_fvl.cpp b/source/module_hamilt_lcao/module_gint/gint_fvl.cpp index 379b4eb26c..530ae01d5d 100644 --- a/source/module_hamilt_lcao/module_gint/gint_fvl.cpp +++ b/source/module_hamilt_lcao/module_gint/gint_fvl.cpp @@ -1,8 +1,8 @@ #include "gint_k.h" -#include "module_base/timer.h" -#include "module_base/ylm.h" +#include "source_base/timer.h" +#include "source_base/ylm.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" -#include "module_base/array_pool.h" +#include "source_base/array_pool.h" // This function utilizes the cache more effectively than calling the ddot function, thus performing faster. void Gint::cal_meshball_force( diff --git a/source/module_hamilt_lcao/module_gint/gint_gamma.h b/source/module_hamilt_lcao/module_gint/gint_gamma.h index 323893cbdf..7ed6e2c9b9 100644 --- a/source/module_hamilt_lcao/module_gint/gint_gamma.h +++ b/source/module_hamilt_lcao/module_gint/gint_gamma.h @@ -6,8 +6,8 @@ #ifndef GINT_GAMMA_H #define GINT_GAMMA_H #include "gint.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" #include "grid_technique.h" #ifdef _OPENMP #include diff --git a/source/module_hamilt_lcao/module_gint/gint_gamma_env.cpp b/source/module_hamilt_lcao/module_gint/gint_gamma_env.cpp index 222c604c73..96d1ccce65 100644 --- a/source/module_hamilt_lcao/module_gint/gint_gamma_env.cpp +++ b/source/module_hamilt_lcao/module_gint/gint_gamma_env.cpp @@ -1,8 +1,8 @@ #include "gint_gamma.h" #include "grid_technique.h" -#include "module_base/timer.h" -#include "module_base/ylm.h" -#include "module_base/array_pool.h" +#include "source_base/timer.h" +#include "source_base/ylm.h" +#include "source_base/array_pool.h" #include "module_basis/module_ao/ORB_read.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/module_hamilt_lcao/module_gint/gint_gamma_vl.cpp b/source/module_hamilt_lcao/module_gint/gint_gamma_vl.cpp index 5e92930e34..dcbf5e30d8 100644 --- a/source/module_hamilt_lcao/module_gint/gint_gamma_vl.cpp +++ b/source/module_hamilt_lcao/module_gint/gint_gamma_vl.cpp @@ -4,9 +4,9 @@ #include "gint_gamma.h" #include "gint_tools.h" #include "grid_technique.h" -#include "module_base/blas_connector.h" -#include "module_base/memory.h" -#include "module_base/timer.h" +#include "source_base/blas_connector.h" +#include "source_base/memory.h" +#include "source_base/timer.h" #include "module_basis/module_ao/ORB_read.h" #include "module_hamilt_lcao/module_hcontainer/hcontainer_funcs.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/module_hamilt_lcao/module_gint/gint_gpu_interface.cpp b/source/module_hamilt_lcao/module_gint/gint_gpu_interface.cpp index 9d6e6e0894..683f003f4d 100644 --- a/source/module_hamilt_lcao/module_gint/gint_gpu_interface.cpp +++ b/source/module_hamilt_lcao/module_gint/gint_gpu_interface.cpp @@ -3,8 +3,8 @@ #include "module_parameter/parameter.h" #include "gint_rho_gpu.h" #include "gint_vl_gpu.h" -#include "module_base/memory.h" -#include "module_base/timer.h" +#include "source_base/memory.h" +#include "source_base/timer.h" void Gint::gpu_vlocal_interface(Gint_inout* inout) { ModuleBase::TITLE("Gint_interface", "cal_gint_vlocal"); diff --git a/source/module_hamilt_lcao/module_gint/gint_k.h b/source/module_hamilt_lcao/module_gint/gint_k.h index 74ac0a744d..bac8869bd9 100644 --- a/source/module_hamilt_lcao/module_gint/gint_k.h +++ b/source/module_hamilt_lcao/module_gint/gint_k.h @@ -8,7 +8,7 @@ #include "module_hamilt_lcao/hamilt_lcaodft/LCAO_HS_arrays.hpp" // add by jingan for map<> in 2021-12-2, will be deleted in the future -#include "module_base/abfs-vector3_order.h" +#include "source_base/abfs-vector3_order.h" class Gint_k : public Gint { public: diff --git a/source/module_hamilt_lcao/module_gint/gint_k_env.cpp b/source/module_hamilt_lcao/module_gint/gint_k_env.cpp index da212ce4f0..b884a155eb 100644 --- a/source/module_hamilt_lcao/module_gint/gint_k_env.cpp +++ b/source/module_hamilt_lcao/module_gint/gint_k_env.cpp @@ -1,12 +1,12 @@ #include "gint_k.h" #include "grid_technique.h" #include "module_parameter/parameter.h" -#include "module_base/timer.h" -#include "module_base/ylm.h" +#include "source_base/timer.h" +#include "source_base/ylm.h" #include "module_basis/module_ao/ORB_read.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" -#include "module_base/array_pool.h" -#include "module_base/vector3.h" +#include "source_base/array_pool.h" +#include "source_base/vector3.h" void Gint_k::cal_env_k(int ik, const std::complex* psi_k, diff --git a/source/module_hamilt_lcao/module_gint/gint_k_pvdpr.cpp b/source/module_hamilt_lcao/module_gint/gint_k_pvdpr.cpp index 6562c760a3..2eb66202f8 100644 --- a/source/module_hamilt_lcao/module_gint/gint_k_pvdpr.cpp +++ b/source/module_hamilt_lcao/module_gint/gint_k_pvdpr.cpp @@ -1,13 +1,13 @@ #include "gint_k.h" #include "grid_technique.h" #include "module_parameter/parameter.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/memory.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" -#include "module_base/tool_threading.h" -#include "module_base/ylm.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/memory.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" +#include "source_base/tool_threading.h" +#include "source_base/ylm.h" #include "module_basis/module_ao/ORB_read.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/module_hamilt_lcao/module_gint/gint_k_pvpr.cpp b/source/module_hamilt_lcao/module_gint/gint_k_pvpr.cpp index 9a6cca47f7..c3f0d80b23 100644 --- a/source/module_hamilt_lcao/module_gint/gint_k_pvpr.cpp +++ b/source/module_hamilt_lcao/module_gint/gint_k_pvpr.cpp @@ -1,14 +1,14 @@ #include "gint_k.h" #include "grid_technique.h" #include "module_parameter/parameter.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/libm/libm.h" -#include "module_base/memory.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" -#include "module_base/tool_threading.h" -#include "module_base/ylm.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/libm/libm.h" +#include "source_base/memory.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" +#include "source_base/tool_threading.h" +#include "source_base/ylm.h" #include "module_basis/module_ao/ORB_read.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/module_hamilt_lcao/module_gint/gint_k_sparse1.cpp b/source/module_hamilt_lcao/module_gint/gint_k_sparse1.cpp index cb1c02f5cd..0407169066 100644 --- a/source/module_hamilt_lcao/module_gint/gint_k_sparse1.cpp +++ b/source/module_hamilt_lcao/module_gint/gint_k_sparse1.cpp @@ -1,12 +1,12 @@ #include "gint_k.h" #include "grid_technique.h" #include "module_parameter/parameter.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/memory.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" -#include "module_base/ylm.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/memory.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" +#include "source_base/ylm.h" #include "module_basis/module_ao/ORB_read.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/module_hamilt_lcao/module_gint/gint_rho.cpp b/source/module_hamilt_lcao/module_gint/gint_rho.cpp index 17ca9d78c1..e243415049 100644 --- a/source/module_hamilt_lcao/module_gint/gint_rho.cpp +++ b/source/module_hamilt_lcao/module_gint/gint_rho.cpp @@ -1,12 +1,12 @@ #include "gint_k.h" #include "gint_tools.h" #include "grid_technique.h" -#include "module_base/blas_connector.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/timer.h" -#include "module_base/array_pool.h" -#include "module_base/ylm.h" +#include "source_base/blas_connector.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/timer.h" +#include "source_base/array_pool.h" +#include "source_base/ylm.h" #include "module_basis/module_ao/ORB_read.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/module_hamilt_lcao/module_gint/gint_rho_cpu_interface.cpp b/source/module_hamilt_lcao/module_gint/gint_rho_cpu_interface.cpp index e3663145cc..9454a79edc 100644 --- a/source/module_hamilt_lcao/module_gint/gint_rho_cpu_interface.cpp +++ b/source/module_hamilt_lcao/module_gint/gint_rho_cpu_interface.cpp @@ -1,7 +1,7 @@ #include "gint.h" -#include "module_base/memory.h" +#include "source_base/memory.h" #include "module_parameter/parameter.h" -#include "module_base/timer.h" +#include "source_base/timer.h" void Gint::gint_kernel_rho(Gint_inout* inout) { ModuleBase::TITLE("Gint_interface", "cal_gint_rho"); diff --git a/source/module_hamilt_lcao/module_gint/gint_rho_gpu.cu b/source/module_hamilt_lcao/module_gint/gint_rho_gpu.cu index fc5fba03c2..c5591e662e 100644 --- a/source/module_hamilt_lcao/module_gint/gint_rho_gpu.cu +++ b/source/module_hamilt_lcao/module_gint/gint_rho_gpu.cu @@ -1,5 +1,5 @@ #include "kernels/cuda/cuda_tools.cuh" -#include "module_base/ylm.h" +#include "source_base/ylm.h" #include "gint_rho_gpu.h" #include "gint_tools.h" #include "kernels/cuda/gint_rho.cuh" diff --git a/source/module_hamilt_lcao/module_gint/gint_tau.cpp b/source/module_hamilt_lcao/module_gint/gint_tau.cpp index 09308c6f93..77fd0cbd2a 100644 --- a/source/module_hamilt_lcao/module_gint/gint_tau.cpp +++ b/source/module_hamilt_lcao/module_gint/gint_tau.cpp @@ -1,15 +1,15 @@ -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" #include "gint_k.h" #include "module_basis/module_ao/ORB_read.h" #include "grid_technique.h" -#include "module_base/ylm.h" +#include "source_base/ylm.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" -#include "module_base/blas_connector.h" -#include "module_base/timer.h" -#include "module_base/array_pool.h" +#include "source_base/blas_connector.h" +#include "source_base/timer.h" +#include "source_base/array_pool.h" #include "gint_tools.h" -#include "module_base/memory.h" +#include "source_base/memory.h" #include "module_hamilt_lcao/module_gint/grid_technique.h" diff --git a/source/module_hamilt_lcao/module_gint/gint_tools.cpp b/source/module_hamilt_lcao/module_gint/gint_tools.cpp index 4979947505..da96e013d6 100644 --- a/source/module_hamilt_lcao/module_gint/gint_tools.cpp +++ b/source/module_hamilt_lcao/module_gint/gint_tools.cpp @@ -6,9 +6,9 @@ #include #include // for std::pair -#include "module_base/timer.h" -#include "module_base/ylm.h" -#include "module_base/array_pool.h" +#include "source_base/timer.h" +#include "source_base/ylm.h" +#include "source_base/array_pool.h" #include "module_basis/module_ao/ORB_read.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/module_hamilt_lcao/module_gint/gint_tools.h b/source/module_hamilt_lcao/module_gint/gint_tools.h index a2ea0a20c0..3a25daa291 100644 --- a/source/module_hamilt_lcao/module_gint/gint_tools.h +++ b/source/module_hamilt_lcao/module_gint/gint_tools.h @@ -6,7 +6,7 @@ #include "grid_technique.h" #include "module_elecstate/module_charge/charge.h" #include "module_hamilt_lcao/module_hcontainer/hcontainer.h" -#include "module_base/array_pool.h" +#include "source_base/array_pool.h" #include #include // for std::pair diff --git a/source/module_hamilt_lcao/module_gint/gint_vl.cpp b/source/module_hamilt_lcao/module_gint/gint_vl.cpp index 043f80225a..f5f73cda98 100644 --- a/source/module_hamilt_lcao/module_gint/gint_vl.cpp +++ b/source/module_hamilt_lcao/module_gint/gint_vl.cpp @@ -1,14 +1,14 @@ -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" #include "gint_k.h" #include "module_basis/module_ao/ORB_read.h" #include "grid_technique.h" -#include "module_base/ylm.h" +#include "source_base/ylm.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" -#include "module_base/blas_connector.h" -#include "module_base/timer.h" -#include "module_base/array_pool.h" -#include "module_base/vector3.h" +#include "source_base/blas_connector.h" +#include "source_base/timer.h" +#include "source_base/array_pool.h" +#include "source_base/vector3.h" //#include #ifdef _OPENMP diff --git a/source/module_hamilt_lcao/module_gint/gint_vl_cpu_interface.cpp b/source/module_hamilt_lcao/module_gint/gint_vl_cpu_interface.cpp index 0eb684ad5f..3f6cf36767 100644 --- a/source/module_hamilt_lcao/module_gint/gint_vl_cpu_interface.cpp +++ b/source/module_hamilt_lcao/module_gint/gint_vl_cpu_interface.cpp @@ -1,7 +1,7 @@ #include "gint.h" -#include "module_base/memory.h" +#include "source_base/memory.h" #include "module_parameter/parameter.h" -#include "module_base/timer.h" +#include "source_base/timer.h" void Gint::gint_kernel_vlocal(Gint_inout* inout) { ModuleBase::TITLE("Gint_interface", "cal_gint_vlocal"); diff --git a/source/module_hamilt_lcao/module_gint/gint_vl_gpu.cu b/source/module_hamilt_lcao/module_gint/gint_vl_gpu.cu index c58896f34c..ddbca83a60 100644 --- a/source/module_hamilt_lcao/module_gint/gint_vl_gpu.cu +++ b/source/module_hamilt_lcao/module_gint/gint_vl_gpu.cu @@ -3,7 +3,7 @@ #endif #include "kernels/cuda/cuda_tools.cuh" -#include "module_base/ylm.h" +#include "source_base/ylm.h" #include "gint_vl_gpu.h" #include "kernels/cuda/gint_vl.cuh" diff --git a/source/module_hamilt_lcao/module_gint/grid_bigcell.cpp b/source/module_hamilt_lcao/module_gint/grid_bigcell.cpp index 7f47218096..fdec1f29b5 100644 --- a/source/module_hamilt_lcao/module_gint/grid_bigcell.cpp +++ b/source/module_hamilt_lcao/module_gint/grid_bigcell.cpp @@ -1,8 +1,8 @@ #include "grid_bigcell.h" #include "module_parameter/parameter.h" -#include "module_base/memory.h" -#include "module_base/timer.h" +#include "source_base/memory.h" +#include "source_base/timer.h" #include "module_basis/module_ao/ORB_read.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_cell/unitcell.h" diff --git a/source/module_hamilt_lcao/module_gint/grid_bigcell.h b/source/module_hamilt_lcao/module_gint/grid_bigcell.h index 10f52a7419..7d380782dd 100644 --- a/source/module_hamilt_lcao/module_gint/grid_bigcell.h +++ b/source/module_hamilt_lcao/module_gint/grid_bigcell.h @@ -1,9 +1,9 @@ #ifndef GRID_BIGCELL_H #define GRID_BIGCELL_H -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/matrix3.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/matrix3.h" #include "grid_meshcell.h" class Grid_BigCell: public Grid_MeshCell diff --git a/source/module_hamilt_lcao/module_gint/grid_meshball.cpp b/source/module_hamilt_lcao/module_gint/grid_meshball.cpp index 797581316d..5a1c395c9a 100644 --- a/source/module_hamilt_lcao/module_gint/grid_meshball.cpp +++ b/source/module_hamilt_lcao/module_gint/grid_meshball.cpp @@ -1,5 +1,5 @@ #include "grid_meshball.h" -#include "module_base/memory.h" +#include "source_base/memory.h" #include "module_parameter/parameter.h" Grid_MeshBall::Grid_MeshBall() diff --git a/source/module_hamilt_lcao/module_gint/grid_meshcell.cpp b/source/module_hamilt_lcao/module_gint/grid_meshcell.cpp index c064c97436..d0f724b4dd 100644 --- a/source/module_hamilt_lcao/module_gint/grid_meshcell.cpp +++ b/source/module_hamilt_lcao/module_gint/grid_meshcell.cpp @@ -1,7 +1,7 @@ #include "grid_meshcell.h" #include "module_parameter/parameter.h" -#include "module_base/memory.h" +#include "source_base/memory.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" Grid_MeshCell::Grid_MeshCell() diff --git a/source/module_hamilt_lcao/module_gint/grid_meshcell.h b/source/module_hamilt_lcao/module_gint/grid_meshcell.h index 67a1863ed0..4351981d23 100644 --- a/source/module_hamilt_lcao/module_gint/grid_meshcell.h +++ b/source/module_hamilt_lcao/module_gint/grid_meshcell.h @@ -1,8 +1,8 @@ #ifndef GRID_MESHCELL_H #define GRID_MESHCELL_H -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/matrix3.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/matrix3.h" #include "grid_meshk.h" #include "module_cell/unitcell.h" class Grid_MeshCell: public Grid_MeshK diff --git a/source/module_hamilt_lcao/module_gint/grid_meshk.h b/source/module_hamilt_lcao/module_gint/grid_meshk.h index 22f27e1c78..fb8d458bb0 100644 --- a/source/module_hamilt_lcao/module_gint/grid_meshk.h +++ b/source/module_hamilt_lcao/module_gint/grid_meshk.h @@ -1,8 +1,8 @@ #ifndef GRID_MESHK_H #define GRID_MESHK_H -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/vector3.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/vector3.h" class Grid_MeshK { diff --git a/source/module_hamilt_lcao/module_gint/grid_technique.cpp b/source/module_hamilt_lcao/module_gint/grid_technique.cpp index c61b7cc702..b343d5ea2c 100644 --- a/source/module_hamilt_lcao/module_gint/grid_technique.cpp +++ b/source/module_hamilt_lcao/module_gint/grid_technique.cpp @@ -4,9 +4,9 @@ #endif #include "grid_technique.h" #include "module_parameter/parameter.h" -#include "module_base/memory.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" +#include "source_base/memory.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "source_hsolver/kernels/cuda/helper_cuda.h" diff --git a/source/module_hamilt_lcao/module_gint/gtask_force.cpp b/source/module_hamilt_lcao/module_gint/gtask_force.cpp index 186bf37257..66efb96f6d 100644 --- a/source/module_hamilt_lcao/module_gint/gtask_force.cpp +++ b/source/module_hamilt_lcao/module_gint/gtask_force.cpp @@ -1,9 +1,9 @@ #include #include "gint_force_gpu.h" -#include "module_base/ylm.h" +#include "source_base/ylm.h" #include "module_hamilt_lcao/module_gint/gint_tools.h" -#include "module_base/vector3.h" +#include "source_base/vector3.h" namespace GintKernel { diff --git a/source/module_hamilt_lcao/module_gint/gtask_rho.cpp b/source/module_hamilt_lcao/module_gint/gtask_rho.cpp index 9a7e618b42..917fc2bc25 100644 --- a/source/module_hamilt_lcao/module_gint/gtask_rho.cpp +++ b/source/module_hamilt_lcao/module_gint/gtask_rho.cpp @@ -1,7 +1,7 @@ #include "gint_rho_gpu.h" -#include "module_base/ylm.h" +#include "source_base/ylm.h" #include "module_hamilt_lcao/module_gint/gint_tools.h" -#include "module_base/vector3.h" +#include "source_base/vector3.h" #include "omp.h" namespace GintKernel { diff --git a/source/module_hamilt_lcao/module_gint/gtask_vl.cpp b/source/module_hamilt_lcao/module_gint/gtask_vl.cpp index ba09ea0949..673e4635a7 100644 --- a/source/module_hamilt_lcao/module_gint/gtask_vl.cpp +++ b/source/module_hamilt_lcao/module_gint/gtask_vl.cpp @@ -1,9 +1,9 @@ #include #include "gint_vl_gpu.h" -#include "module_base/ylm.h" +#include "source_base/ylm.h" #include "module_hamilt_lcao/module_gint/gint_tools.h" -#include "module_base/vector3.h" +#include "source_base/vector3.h" namespace GintKernel { diff --git a/source/module_hamilt_lcao/module_gint/init_orb.cpp b/source/module_hamilt_lcao/module_gint/init_orb.cpp index 7e90af608b..e6d8dd49ac 100644 --- a/source/module_hamilt_lcao/module_gint/init_orb.cpp +++ b/source/module_hamilt_lcao/module_gint/init_orb.cpp @@ -1,5 +1,5 @@ #include "gint_tools.h" -#include "module_base/memory.h" +#include "source_base/memory.h" #include "module_basis/module_ao/ORB_read.h" #include "module_cell/unitcell.h" diff --git a/source/module_hamilt_lcao/module_gint/kernels/cuda/gemm_selector.cu b/source/module_hamilt_lcao/module_gint/kernels/cuda/gemm_selector.cu index cfad7440f3..b8dda451f4 100644 --- a/source/module_hamilt_lcao/module_gint/kernels/cuda/gemm_selector.cu +++ b/source/module_hamilt_lcao/module_gint/kernels/cuda/gemm_selector.cu @@ -3,7 +3,7 @@ #include "gemm_selector.cuh" #include "vbatch_matrix_mul.cuh" #include "cuda_tools.cuh" -#include "module_base/blas_connector.h" +#include "source_base/blas_connector.h" #include "code_gen.cuh" /* diff --git a/source/module_hamilt_lcao/module_gint/kernels/cuda/gint_force.cu b/source/module_hamilt_lcao/module_gint/kernels/cuda/gint_force.cu index 4375af7eee..0199c9e37a 100644 --- a/source/module_hamilt_lcao/module_gint/kernels/cuda/gint_force.cu +++ b/source/module_hamilt_lcao/module_gint/kernels/cuda/gint_force.cu @@ -2,7 +2,7 @@ #include "interp.cuh" #include "gint_force.cuh" #include "cuda_tools.cuh" -#include "module_base/module_device/device.h" +#include "source_base/module_device/device.h" // CUDA kernel to calculate psi and force namespace GintKernel { diff --git a/source/module_hamilt_lcao/module_gint/kernels/cuda/vbatch_matrix_mul.cuh b/source/module_hamilt_lcao/module_gint/kernels/cuda/vbatch_matrix_mul.cuh index 38a2c3c2b1..013232cfac 100644 --- a/source/module_hamilt_lcao/module_gint/kernels/cuda/vbatch_matrix_mul.cuh +++ b/source/module_hamilt_lcao/module_gint/kernels/cuda/vbatch_matrix_mul.cuh @@ -10,7 +10,7 @@ #include #include "module_cell/unitcell.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" -#include "module_base/module_device/device.h" +#include "source_base/module_device/device.h" #define sA(i, j) sA[(j)*slda + (i)] diff --git a/source/module_hamilt_lcao/module_gint/mult_psi_dmr.cpp b/source/module_hamilt_lcao/module_gint/mult_psi_dmr.cpp index efa51ec4a6..aeb6e2f6cb 100644 --- a/source/module_hamilt_lcao/module_gint/mult_psi_dmr.cpp +++ b/source/module_hamilt_lcao/module_gint/mult_psi_dmr.cpp @@ -1,7 +1,7 @@ #include "gint_tools.h" -#include "module_base/timer.h" -#include "module_base/ylm.h" -#include "module_base/blas_connector.h" +#include "source_base/timer.h" +#include "source_base/ylm.h" +#include "source_base/blas_connector.h" namespace Gint_Tools{ diff --git a/source/module_hamilt_lcao/module_gint/temp_gint/gint_atom.cpp b/source/module_hamilt_lcao/module_gint/temp_gint/gint_atom.cpp index 91b30748dd..6ae3735ec6 100644 --- a/source/module_hamilt_lcao/module_gint/temp_gint/gint_atom.cpp +++ b/source/module_hamilt_lcao/module_gint/temp_gint/gint_atom.cpp @@ -1,5 +1,5 @@ -#include "module_base/ylm.h" -#include "module_base/array_pool.h" +#include "source_base/ylm.h" +#include "source_base/array_pool.h" #include "gint_atom.h" #include "gint_helper.h" diff --git a/source/module_hamilt_lcao/module_gint/temp_gint/gint_fvl.cpp b/source/module_hamilt_lcao/module_gint/temp_gint/gint_fvl.cpp index f97ccf0ed3..01fd6de0ab 100644 --- a/source/module_hamilt_lcao/module_gint/temp_gint/gint_fvl.cpp +++ b/source/module_hamilt_lcao/module_gint/temp_gint/gint_fvl.cpp @@ -1,4 +1,4 @@ -#include "module_base/global_function.h" +#include "source_base/global_function.h" #include "gint_fvl.h" #include "gint_common.h" #include "phi_operator.h" diff --git a/source/module_hamilt_lcao/module_gint/temp_gint/gint_fvl.h b/source/module_hamilt_lcao/module_gint/temp_gint/gint_fvl.h index ae75eda62d..013c7b2e0a 100644 --- a/source/module_hamilt_lcao/module_gint/temp_gint/gint_fvl.h +++ b/source/module_hamilt_lcao/module_gint/temp_gint/gint_fvl.h @@ -3,7 +3,7 @@ #include #include #include "module_hamilt_lcao/module_hcontainer/hcontainer.h" -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "gint.h" #include "gint_info.h" diff --git a/source/module_hamilt_lcao/module_gint/temp_gint/gint_fvl_meta.cpp b/source/module_hamilt_lcao/module_gint/temp_gint/gint_fvl_meta.cpp index d493d954b7..15ca44b041 100644 --- a/source/module_hamilt_lcao/module_gint/temp_gint/gint_fvl_meta.cpp +++ b/source/module_hamilt_lcao/module_gint/temp_gint/gint_fvl_meta.cpp @@ -1,4 +1,4 @@ -#include "module_base/global_function.h" +#include "source_base/global_function.h" #include "gint_fvl_meta.h" #include "gint_common.h" #include "phi_operator.h" diff --git a/source/module_hamilt_lcao/module_gint/temp_gint/gint_fvl_meta.h b/source/module_hamilt_lcao/module_gint/temp_gint/gint_fvl_meta.h index 36c8e69822..636bbc47b5 100644 --- a/source/module_hamilt_lcao/module_gint/temp_gint/gint_fvl_meta.h +++ b/source/module_hamilt_lcao/module_gint/temp_gint/gint_fvl_meta.h @@ -3,7 +3,7 @@ #include #include #include "module_hamilt_lcao/module_hcontainer/hcontainer.h" -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "gint.h" #include "gint_info.h" diff --git a/source/module_hamilt_lcao/module_gint/temp_gint/gint_helper.h b/source/module_hamilt_lcao/module_gint/temp_gint/gint_helper.h index b1f72c5a11..687c37df50 100644 --- a/source/module_hamilt_lcao/module_gint/temp_gint/gint_helper.h +++ b/source/module_hamilt_lcao/module_gint/temp_gint/gint_helper.h @@ -3,7 +3,7 @@ #include #include #include "gint_type.h" -#include "module_base/timer.h" +#include "source_base/timer.h" template std::shared_ptr toConstSharedPtr(std::shared_ptr ptr) { diff --git a/source/module_hamilt_lcao/module_gint/temp_gint/gint_info.cpp b/source/module_hamilt_lcao/module_gint/temp_gint/gint_info.cpp index 5283f37ab1..11f2a5d59e 100644 --- a/source/module_hamilt_lcao/module_gint/temp_gint/gint_info.cpp +++ b/source/module_hamilt_lcao/module_gint/temp_gint/gint_info.cpp @@ -1,7 +1,7 @@ #include #include #include "module_parameter/parameter.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "gint_info.h" #include "gint_type.h" diff --git a/source/module_hamilt_lcao/module_gint/temp_gint/gint_interface.cpp b/source/module_hamilt_lcao/module_gint/temp_gint/gint_interface.cpp index 28b2770cdb..bd945b8b19 100644 --- a/source/module_hamilt_lcao/module_gint/temp_gint/gint_interface.cpp +++ b/source/module_hamilt_lcao/module_gint/temp_gint/gint_interface.cpp @@ -1,5 +1,5 @@ #include "gint_interface.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "gint_vl.h" #include "gint_vl_metagga.h" #include "gint_vl_nspin4.h" diff --git a/source/module_hamilt_lcao/module_gint/temp_gint/gint_rho.cpp b/source/module_hamilt_lcao/module_gint/temp_gint/gint_rho.cpp index fa645af9ef..2924487c7e 100644 --- a/source/module_hamilt_lcao/module_gint/temp_gint/gint_rho.cpp +++ b/source/module_hamilt_lcao/module_gint/temp_gint/gint_rho.cpp @@ -1,4 +1,4 @@ -#include "module_base/global_function.h" +#include "source_base/global_function.h" #include "gint_rho.h" #include "gint_common.h" #include "phi_operator.h" diff --git a/source/module_hamilt_lcao/module_gint/temp_gint/gint_tau.cpp b/source/module_hamilt_lcao/module_gint/temp_gint/gint_tau.cpp index 94d1539d9d..f5d0b70a0c 100644 --- a/source/module_hamilt_lcao/module_gint/temp_gint/gint_tau.cpp +++ b/source/module_hamilt_lcao/module_gint/temp_gint/gint_tau.cpp @@ -1,4 +1,4 @@ -#include "module_base/global_function.h" +#include "source_base/global_function.h" #include "gint_tau.h" #include "gint_common.h" #include "phi_operator.h" diff --git a/source/module_hamilt_lcao/module_gint/temp_gint/gint_type.h b/source/module_hamilt_lcao/module_gint/temp_gint/gint_type.h index c6e9369ad2..9cf623765b 100644 --- a/source/module_hamilt_lcao/module_gint/temp_gint/gint_type.h +++ b/source/module_hamilt_lcao/module_gint/temp_gint/gint_type.h @@ -1,8 +1,8 @@ #pragma once #include "module_hamilt_lcao/module_hcontainer/hcontainer.h" -#include "module_base/vector3.h" -#include "module_base/matrix3.h" +#include "source_base/vector3.h" +#include "source_base/matrix3.h" using Matrix3 = ModuleBase::Matrix3; using Vec3d = ModuleBase::Vector3; diff --git a/source/module_hamilt_lcao/module_gint/temp_gint/gint_vl.cpp b/source/module_hamilt_lcao/module_gint/temp_gint/gint_vl.cpp index 734e68bb57..b0107bf064 100644 --- a/source/module_hamilt_lcao/module_gint/temp_gint/gint_vl.cpp +++ b/source/module_hamilt_lcao/module_gint/temp_gint/gint_vl.cpp @@ -1,4 +1,4 @@ -#include "module_base/blas_connector.h" +#include "source_base/blas_connector.h" #include "gint_common.h" #include "gint_vl.h" #include "phi_operator.h" diff --git a/source/module_hamilt_lcao/module_gint/temp_gint/gint_vl_metagga.cpp b/source/module_hamilt_lcao/module_gint/temp_gint/gint_vl_metagga.cpp index 4c6d2ac535..fa651a89e1 100644 --- a/source/module_hamilt_lcao/module_gint/temp_gint/gint_vl_metagga.cpp +++ b/source/module_hamilt_lcao/module_gint/temp_gint/gint_vl_metagga.cpp @@ -1,4 +1,4 @@ -#include "module_base/blas_connector.h" +#include "source_base/blas_connector.h" #include "gint_common.h" #include "gint_vl_metagga.h" #include "phi_operator.h" diff --git a/source/module_hamilt_lcao/module_gint/temp_gint/gint_vl_metagga_nspin4.cpp b/source/module_hamilt_lcao/module_gint/temp_gint/gint_vl_metagga_nspin4.cpp index 6f5a468254..986b182c09 100644 --- a/source/module_hamilt_lcao/module_gint/temp_gint/gint_vl_metagga_nspin4.cpp +++ b/source/module_hamilt_lcao/module_gint/temp_gint/gint_vl_metagga_nspin4.cpp @@ -1,6 +1,6 @@ -#include "module_base/global_function.h" +#include "source_base/global_function.h" #include "module_hamilt_lcao/module_hcontainer/hcontainer.h" -#include "module_base/blas_connector.h" +#include "source_base/blas_connector.h" #include "gint_common.h" #include "gint_vl_metagga_nspin4.h" #include "phi_operator.h" diff --git a/source/module_hamilt_lcao/module_gint/temp_gint/gint_vl_nspin4.cpp b/source/module_hamilt_lcao/module_gint/temp_gint/gint_vl_nspin4.cpp index 698d207ec7..db211570ca 100644 --- a/source/module_hamilt_lcao/module_gint/temp_gint/gint_vl_nspin4.cpp +++ b/source/module_hamilt_lcao/module_gint/temp_gint/gint_vl_nspin4.cpp @@ -1,6 +1,6 @@ -#include "module_base/global_function.h" +#include "source_base/global_function.h" #include "module_hamilt_lcao/module_hcontainer/hcontainer.h" -#include "module_base/blas_connector.h" +#include "source_base/blas_connector.h" #include "gint_common.h" #include "gint_vl_nspin4.h" #include "phi_operator.h" diff --git a/source/module_hamilt_lcao/module_gint/temp_gint/phi_operator.cpp b/source/module_hamilt_lcao/module_gint/temp_gint/phi_operator.cpp index 4a037d53be..d714546864 100644 --- a/source/module_hamilt_lcao/module_gint/temp_gint/phi_operator.cpp +++ b/source/module_hamilt_lcao/module_gint/temp_gint/phi_operator.cpp @@ -1,6 +1,6 @@ #include "phi_operator.h" -#include "module_base/global_function.h" -#include "module_base/matrix.h" +#include "source_base/global_function.h" +#include "source_base/matrix.h" namespace ModuleGint { diff --git a/source/module_hamilt_lcao/module_gint/temp_gint/phi_operator.hpp b/source/module_hamilt_lcao/module_gint/temp_gint/phi_operator.hpp index 7c46c80fe5..44603560d2 100644 --- a/source/module_hamilt_lcao/module_gint/temp_gint/phi_operator.hpp +++ b/source/module_hamilt_lcao/module_gint/temp_gint/phi_operator.hpp @@ -1,8 +1,8 @@ #pragma once #include "phi_operator.h" -#include "module_base/blas_connector.h" -#include "module_base/global_function.h" +#include "source_base/blas_connector.h" +#include "source_base/global_function.h" namespace ModuleGint { diff --git a/source/module_hamilt_lcao/module_gint/temp_gint/set_ddphi.cpp b/source/module_hamilt_lcao/module_gint/temp_gint/set_ddphi.cpp index dd0b77f18f..4d01acc262 100644 --- a/source/module_hamilt_lcao/module_gint/temp_gint/set_ddphi.cpp +++ b/source/module_hamilt_lcao/module_gint/temp_gint/set_ddphi.cpp @@ -1,6 +1,6 @@ -#include "module_base/array_pool.h" -#include "module_base/timer.h" -#include "module_base/ylm.h" +#include "source_base/array_pool.h" +#include "source_base/timer.h" +#include "source_base/ylm.h" #include "gint_atom.h" #include "gint_helper.h" diff --git a/source/module_hamilt_lcao/module_gint/test/test_sph.cu b/source/module_hamilt_lcao/module_gint/test/test_sph.cu index 3521e1d46c..58b0a6c329 100644 --- a/source/module_hamilt_lcao/module_gint/test/test_sph.cu +++ b/source/module_hamilt_lcao/module_gint/test/test_sph.cu @@ -8,7 +8,7 @@ #include "gtest/gtest.h" #include "module_hamilt_lcao/module_hcontainer/hcontainer.h" #include "test_sph.h" -#include "module_base/array_pool.h" +#include "source_base/array_pool.h" using namespace std; class gintTest : public ::testing::Test diff --git a/source/module_hamilt_lcao/module_hcontainer/atom_pair.cpp b/source/module_hamilt_lcao/module_hcontainer/atom_pair.cpp index 0a6d316272..b66bad470d 100644 --- a/source/module_hamilt_lcao/module_hcontainer/atom_pair.cpp +++ b/source/module_hamilt_lcao/module_hcontainer/atom_pair.cpp @@ -1,7 +1,7 @@ #include "atom_pair.h" #include #include -#include "module_base/blas_connector.h" +#include "source_base/blas_connector.h" namespace hamilt { diff --git a/source/module_hamilt_lcao/module_hcontainer/atom_pair.h b/source/module_hamilt_lcao/module_hcontainer/atom_pair.h index f0593641f9..3bdb94051e 100644 --- a/source/module_hamilt_lcao/module_hcontainer/atom_pair.h +++ b/source/module_hamilt_lcao/module_hcontainer/atom_pair.h @@ -3,7 +3,7 @@ // #include "module_cell/atom_spec.h" #include "base_matrix.h" -#include "module_base/vector3.h" +#include "source_base/vector3.h" #include "module_basis/module_ao/parallel_orbitals.h" #include diff --git a/source/module_hamilt_lcao/module_hcontainer/base_matrix.cpp b/source/module_hamilt_lcao/module_hcontainer/base_matrix.cpp index ff5471bfb6..d246dd2969 100644 --- a/source/module_hamilt_lcao/module_hcontainer/base_matrix.cpp +++ b/source/module_hamilt_lcao/module_hcontainer/base_matrix.cpp @@ -2,7 +2,7 @@ #include #include -#include "module_base/global_function.h" +#include "source_base/global_function.h" namespace hamilt { diff --git a/source/module_hamilt_lcao/module_hcontainer/func_folding.cpp b/source/module_hamilt_lcao/module_hcontainer/func_folding.cpp index 6d235b1d67..58ba3d267a 100644 --- a/source/module_hamilt_lcao/module_hcontainer/func_folding.cpp +++ b/source/module_hamilt_lcao/module_hcontainer/func_folding.cpp @@ -1,5 +1,5 @@ #include "hcontainer_funcs.h" -#include "module_base/libm/libm.h" +#include "source_base/libm/libm.h" namespace hamilt { diff --git a/source/module_hamilt_lcao/module_hcontainer/hcontainer.h b/source/module_hamilt_lcao/module_hcontainer/hcontainer.h index c823f06027..aa592019c0 100644 --- a/source/module_hamilt_lcao/module_hcontainer/hcontainer.h +++ b/source/module_hamilt_lcao/module_hcontainer/hcontainer.h @@ -2,7 +2,7 @@ #define W_ABACUS_DEVELOP_ABACUS_DEVELOP_SOURCE_MODULE_HAMILT_LCAO_MODULE_HCONTAINER_HCONTAINER_H #include "atom_pair.h" -#include "module_base/vector3.h" +#include "source_base/vector3.h" #include "module_cell/unitcell.h" #include diff --git a/source/module_hamilt_lcao/module_hcontainer/test/prepare_unitcell.h b/source/module_hamilt_lcao/module_hcontainer/test/prepare_unitcell.h index 84e0c9a4ec..3f0f58cabd 100644 --- a/source/module_hamilt_lcao/module_hcontainer/test/prepare_unitcell.h +++ b/source/module_hamilt_lcao/module_hcontainer/test/prepare_unitcell.h @@ -2,7 +2,7 @@ #define PREPARE_UNITCELL_H #include #include -#include "module_base/mathzone.h" +#include "source_base/mathzone.h" class UcellTestPrepare { diff --git a/source/module_hamilt_lcao/module_hcontainer/transfer.cpp b/source/module_hamilt_lcao/module_hcontainer/transfer.cpp index 0d984ab5c4..81320cb689 100644 --- a/source/module_hamilt_lcao/module_hcontainer/transfer.cpp +++ b/source/module_hamilt_lcao/module_hcontainer/transfer.cpp @@ -2,8 +2,8 @@ #include -#include "module_base/blas_connector.h" -#include "module_base/global_function.h" +#include "source_base/blas_connector.h" +#include "source_base/global_function.h" #ifdef __MPI #include diff --git a/source/module_hamilt_lcao/module_hcontainer/transfer.h b/source/module_hamilt_lcao/module_hcontainer/transfer.h index 35c41e4350..5b274cbad3 100644 --- a/source/module_hamilt_lcao/module_hcontainer/transfer.h +++ b/source/module_hamilt_lcao/module_hcontainer/transfer.h @@ -4,7 +4,7 @@ #include #include -#include "module_base/vector3.h" +#include "source_base/vector3.h" #include "./hcontainer.h" #ifdef __MPI diff --git a/source/module_hamilt_lcao/module_tddft/band_energy.cpp b/source/module_hamilt_lcao/module_tddft/band_energy.cpp index c148042be3..e52678df6c 100644 --- a/source/module_hamilt_lcao/module_tddft/band_energy.cpp +++ b/source/module_hamilt_lcao/module_tddft/band_energy.cpp @@ -1,9 +1,9 @@ #include "band_energy.h" #include "evolve_elec.h" -#include "module_base/lapack_connector.h" -#include "module_base/module_container/ATen/kernels/blas.h" -#include "module_base/scalapack_connector.h" +#include "source_base/lapack_connector.h" +#include "source_base/module_container/ATen/kernels/blas.h" +#include "source_base/scalapack_connector.h" #include #include diff --git a/source/module_hamilt_lcao/module_tddft/band_energy.h b/source/module_hamilt_lcao/module_tddft/band_energy.h index 4e1ab9aa5b..fbf74537b7 100644 --- a/source/module_hamilt_lcao/module_tddft/band_energy.h +++ b/source/module_hamilt_lcao/module_tddft/band_energy.h @@ -6,7 +6,7 @@ #ifndef BANDENERGY_H #define BANDENERGY_H -#include "module_base/module_container/ATen/core/tensor.h" // ct::Tensor +#include "source_base/module_container/ATen/core/tensor.h" // ct::Tensor #include "module_basis/module_ao/parallel_orbitals.h" #include diff --git a/source/module_hamilt_lcao/module_tddft/evolve_elec.cpp b/source/module_hamilt_lcao/module_tddft/evolve_elec.cpp index 95b05872d2..63561d9b95 100644 --- a/source/module_hamilt_lcao/module_tddft/evolve_elec.cpp +++ b/source/module_hamilt_lcao/module_tddft/evolve_elec.cpp @@ -1,8 +1,8 @@ #include "evolve_elec.h" #include "evolve_psi.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" #include "module_elecstate/module_charge/symmetry_rho.h" #include "module_hamilt_lcao/hamilt_lcaodft/hamilt_lcao.h" #include "module_hamilt_lcao/module_dftu/dftu.h" diff --git a/source/module_hamilt_lcao/module_tddft/evolve_elec.h b/source/module_hamilt_lcao/module_tddft/evolve_elec.h index d33f10c547..3377dbc579 100644 --- a/source/module_hamilt_lcao/module_tddft/evolve_elec.h +++ b/source/module_hamilt_lcao/module_tddft/evolve_elec.h @@ -1,13 +1,13 @@ #ifndef W_ABACUS_DEVELOP_ABACUS_DEVELOP_SOURCE_MODULE_HAMILT_LCAO_MODULE_TDDFT_EVOLVE_ELEC_H #define W_ABACUS_DEVELOP_ABACUS_DEVELOP_SOURCE_MODULE_HAMILT_LCAO_MODULE_TDDFT_EVOLVE_ELEC_H -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/module_container/ATen/core/tensor.h" // ct::Tensor -#include "module_base/module_container/ATen/core/tensor_map.h" // TensorMap -#include "module_base/module_device/device.h" // base_device -#include "module_base/module_device/memory_op.h" // memory operations -#include "module_base/scalapack_connector.h" // Cpxgemr2d +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/module_container/ATen/core/tensor.h" // ct::Tensor +#include "source_base/module_container/ATen/core/tensor_map.h" // TensorMap +#include "source_base/module_device/device.h" // base_device +#include "source_base/module_device/memory_op.h" // memory operations +#include "source_base/scalapack_connector.h" // Cpxgemr2d #include "source_esolver/esolver_ks_lcao.h" #include "source_esolver/esolver_ks_lcao_tddft.h" #include "module_hamilt_lcao/hamilt_lcaodft/hamilt_lcao.h" diff --git a/source/module_hamilt_lcao/module_tddft/evolve_psi.cpp b/source/module_hamilt_lcao/module_tddft/evolve_psi.cpp index 8a44adea78..277bbf90f0 100644 --- a/source/module_hamilt_lcao/module_tddft/evolve_psi.cpp +++ b/source/module_hamilt_lcao/module_tddft/evolve_psi.cpp @@ -2,10 +2,10 @@ #include "band_energy.h" #include "middle_hamilt.h" -#include "module_base/lapack_connector.h" -#include "module_base/module_container/ATen/kernels/blas.h" // cuBLAS handle -#include "module_base/module_container/ATen/kernels/lapack.h" // cuSOLVER handle -#include "module_base/scalapack_connector.h" +#include "source_base/lapack_connector.h" +#include "source_base/module_container/ATen/kernels/blas.h" // cuBLAS handle +#include "source_base/module_container/ATen/kernels/lapack.h" // cuSOLVER handle +#include "source_base/scalapack_connector.h" #include "source_esolver/esolver_ks_lcao_tddft.h" // use gatherMatrix #include "module_hamilt_lcao/hamilt_lcaodft/hamilt_lcao.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/module_hamilt_lcao/module_tddft/evolve_psi.h b/source/module_hamilt_lcao/module_tddft/evolve_psi.h index 44f0db888a..f70fc7ebcd 100644 --- a/source/module_hamilt_lcao/module_tddft/evolve_psi.h +++ b/source/module_hamilt_lcao/module_tddft/evolve_psi.h @@ -6,8 +6,8 @@ #ifndef ELEC_PSI_H #define ELEC_PSI_H -#include "module_base/module_container/ATen/core/tensor.h" // ct::Tensor -#include "module_base/module_container/ATen/core/tensor_map.h" // TensorMap +#include "source_base/module_container/ATen/core/tensor.h" // ct::Tensor +#include "source_base/module_container/ATen/core/tensor_map.h" // TensorMap #include "module_basis/module_ao/parallel_orbitals.h" #include "module_hamilt_lcao/hamilt_lcaodft/hamilt_lcao.h" diff --git a/source/module_hamilt_lcao/module_tddft/middle_hamilt.cpp b/source/module_hamilt_lcao/module_tddft/middle_hamilt.cpp index 94b3dc3f5d..da72911335 100644 --- a/source/module_hamilt_lcao/module_tddft/middle_hamilt.cpp +++ b/source/module_hamilt_lcao/module_tddft/middle_hamilt.cpp @@ -1,9 +1,9 @@ #include "middle_hamilt.h" -#include "module_base/lapack_connector.h" -#include "module_base/module_container/ATen/kernels/blas.h" -#include "module_base/module_device/memory_op.h" // memory operations -#include "module_base/scalapack_connector.h" +#include "source_base/lapack_connector.h" +#include "source_base/module_container/ATen/kernels/blas.h" +#include "source_base/module_device/memory_op.h" // memory operations +#include "source_base/scalapack_connector.h" #include #include diff --git a/source/module_hamilt_lcao/module_tddft/middle_hamilt.h b/source/module_hamilt_lcao/module_tddft/middle_hamilt.h index 4b153e3166..0d6377cc22 100644 --- a/source/module_hamilt_lcao/module_tddft/middle_hamilt.h +++ b/source/module_hamilt_lcao/module_tddft/middle_hamilt.h @@ -6,7 +6,7 @@ #ifndef MIDDLE_HAMILT_H #define MIDDLE_HAMILT_H -#include "module_base/module_container/ATen/core/tensor.h" // ct::Tensor +#include "source_base/module_container/ATen/core/tensor.h" // ct::Tensor #include "module_basis/module_ao/parallel_orbitals.h" #include diff --git a/source/module_hamilt_lcao/module_tddft/norm_psi.cpp b/source/module_hamilt_lcao/module_tddft/norm_psi.cpp index bbd7ea8956..913554c815 100644 --- a/source/module_hamilt_lcao/module_tddft/norm_psi.cpp +++ b/source/module_hamilt_lcao/module_tddft/norm_psi.cpp @@ -1,8 +1,8 @@ #include "norm_psi.h" -#include "module_base/lapack_connector.h" -#include "module_base/module_container/ATen/kernels/blas.h" -#include "module_base/scalapack_connector.h" +#include "source_base/lapack_connector.h" +#include "source_base/module_container/ATen/kernels/blas.h" +#include "source_base/scalapack_connector.h" #include #include diff --git a/source/module_hamilt_lcao/module_tddft/norm_psi.h b/source/module_hamilt_lcao/module_tddft/norm_psi.h index 6d3e455a3a..208eaa11e8 100644 --- a/source/module_hamilt_lcao/module_tddft/norm_psi.h +++ b/source/module_hamilt_lcao/module_tddft/norm_psi.h @@ -6,7 +6,7 @@ #ifndef NORM_PSI_H #define NORM_PSI_H -#include "module_base/module_container/ATen/core/tensor.h" // ct::Tensor +#include "source_base/module_container/ATen/core/tensor.h" // ct::Tensor #include "module_basis/module_ao/parallel_orbitals.h" #include diff --git a/source/module_hamilt_lcao/module_tddft/propagator.cpp b/source/module_hamilt_lcao/module_tddft/propagator.cpp index 154671176e..74f1c3088f 100644 --- a/source/module_hamilt_lcao/module_tddft/propagator.cpp +++ b/source/module_hamilt_lcao/module_tddft/propagator.cpp @@ -1,11 +1,11 @@ #include "propagator.h" -#include "module_base/lapack_connector.h" -#include "module_base/module_container/ATen/kernels/blas.h" -#include "module_base/module_container/ATen/kernels/lapack.h" -#include "module_base/module_container/ATen/kernels/memory.h" // memory operations (Tensor) -#include "module_base/module_device/memory_op.h" // memory operations -#include "module_base/scalapack_connector.h" +#include "source_base/lapack_connector.h" +#include "source_base/module_container/ATen/kernels/blas.h" +#include "source_base/module_container/ATen/kernels/lapack.h" +#include "source_base/module_container/ATen/kernels/memory.h" // memory operations (Tensor) +#include "source_base/module_device/memory_op.h" // memory operations +#include "source_base/scalapack_connector.h" #include "module_parameter/parameter.h" #include diff --git a/source/module_hamilt_lcao/module_tddft/propagator.h b/source/module_hamilt_lcao/module_tddft/propagator.h index cb77300b4a..fe360c5fb8 100644 --- a/source/module_hamilt_lcao/module_tddft/propagator.h +++ b/source/module_hamilt_lcao/module_tddft/propagator.h @@ -6,8 +6,8 @@ #ifndef PROPAGATOR_H #define PROPAGATOR_H -#include "module_base/constants.h" -#include "module_base/module_container/ATen/core/tensor.h" // ct::Tensor +#include "source_base/constants.h" +#include "source_base/module_container/ATen/core/tensor.h" // ct::Tensor #include "module_basis/module_ao/parallel_orbitals.h" #include diff --git a/source/module_hamilt_lcao/module_tddft/propagator_cn2.cpp b/source/module_hamilt_lcao/module_tddft/propagator_cn2.cpp index d87cf3c593..8ccbd2a5a0 100644 --- a/source/module_hamilt_lcao/module_tddft/propagator_cn2.cpp +++ b/source/module_hamilt_lcao/module_tddft/propagator_cn2.cpp @@ -1,9 +1,9 @@ -#include "module_base/lapack_connector.h" -#include "module_base/module_container/ATen/kernels/blas.h" -#include "module_base/module_container/ATen/kernels/lapack.h" -#include "module_base/module_container/ATen/kernels/memory.h" // memory operations (Tensor) -#include "module_base/module_device/memory_op.h" // memory operations -#include "module_base/scalapack_connector.h" +#include "source_base/lapack_connector.h" +#include "source_base/module_container/ATen/kernels/blas.h" +#include "source_base/module_container/ATen/kernels/lapack.h" +#include "source_base/module_container/ATen/kernels/memory.h" // memory operations (Tensor) +#include "source_base/module_device/memory_op.h" // memory operations +#include "source_base/scalapack_connector.h" #include "module_parameter/parameter.h" #include "propagator.h" diff --git a/source/module_hamilt_lcao/module_tddft/propagator_etrs.cpp b/source/module_hamilt_lcao/module_tddft/propagator_etrs.cpp index ad37264d59..e3dcec0b0d 100644 --- a/source/module_hamilt_lcao/module_tddft/propagator_etrs.cpp +++ b/source/module_hamilt_lcao/module_tddft/propagator_etrs.cpp @@ -1,9 +1,9 @@ -#include "module_base/lapack_connector.h" -#include "module_base/module_container/ATen/kernels/blas.h" -#include "module_base/module_container/ATen/kernels/lapack.h" -#include "module_base/module_container/ATen/kernels/memory.h" // memory operations (Tensor) -#include "module_base/module_device/memory_op.h" // memory operations -#include "module_base/scalapack_connector.h" +#include "source_base/lapack_connector.h" +#include "source_base/module_container/ATen/kernels/blas.h" +#include "source_base/module_container/ATen/kernels/lapack.h" +#include "source_base/module_container/ATen/kernels/memory.h" // memory operations (Tensor) +#include "source_base/module_device/memory_op.h" // memory operations +#include "source_base/scalapack_connector.h" #include "module_parameter/parameter.h" #include "propagator.h" diff --git a/source/module_hamilt_lcao/module_tddft/propagator_taylor.cpp b/source/module_hamilt_lcao/module_tddft/propagator_taylor.cpp index 58567a900a..ae03c18417 100644 --- a/source/module_hamilt_lcao/module_tddft/propagator_taylor.cpp +++ b/source/module_hamilt_lcao/module_tddft/propagator_taylor.cpp @@ -1,9 +1,9 @@ -#include "module_base/lapack_connector.h" -#include "module_base/module_container/ATen/kernels/blas.h" -#include "module_base/module_container/ATen/kernels/lapack.h" -#include "module_base/module_container/ATen/kernels/memory.h" // memory operations (Tensor) -#include "module_base/module_device/memory_op.h" // memory operations -#include "module_base/scalapack_connector.h" +#include "source_base/lapack_connector.h" +#include "source_base/module_container/ATen/kernels/blas.h" +#include "source_base/module_container/ATen/kernels/lapack.h" +#include "source_base/module_container/ATen/kernels/memory.h" // memory operations (Tensor) +#include "source_base/module_device/memory_op.h" // memory operations +#include "source_base/scalapack_connector.h" #include "module_parameter/parameter.h" #include "propagator.h" diff --git a/source/module_hamilt_lcao/module_tddft/snap_psibeta_half_tddft.cpp b/source/module_hamilt_lcao/module_tddft/snap_psibeta_half_tddft.cpp index b03e5a380d..97a71345c8 100644 --- a/source/module_hamilt_lcao/module_tddft/snap_psibeta_half_tddft.cpp +++ b/source/module_hamilt_lcao/module_tddft/snap_psibeta_half_tddft.cpp @@ -1,10 +1,10 @@ #include "snap_psibeta_half_tddft.h" -#include "module_base/constants.h" -#include "module_base/math_integral.h" -#include "module_base/math_polyint.h" -#include "module_base/timer.h" -#include "module_base/ylm.h" +#include "source_base/constants.h" +#include "source_base/math_integral.h" +#include "source_base/math_polyint.h" +#include "source_base/timer.h" +#include "source_base/ylm.h" namespace module_tddft { diff --git a/source/module_hamilt_lcao/module_tddft/snap_psibeta_half_tddft.h b/source/module_hamilt_lcao/module_tddft/snap_psibeta_half_tddft.h index 04c8eb9760..21f1df41dd 100644 --- a/source/module_hamilt_lcao/module_tddft/snap_psibeta_half_tddft.h +++ b/source/module_hamilt_lcao/module_tddft/snap_psibeta_half_tddft.h @@ -4,7 +4,7 @@ #include #include -#include "module_base/vector3.h" +#include "source_base/vector3.h" #include "module_basis/module_ao/ORB_read.h" #include "module_cell/setup_nonlocal.h" diff --git a/source/module_hamilt_lcao/module_tddft/solve_propagation.cpp b/source/module_hamilt_lcao/module_tddft/solve_propagation.cpp index 45d8a1231a..f8df6a6c71 100644 --- a/source/module_hamilt_lcao/module_tddft/solve_propagation.cpp +++ b/source/module_hamilt_lcao/module_tddft/solve_propagation.cpp @@ -2,8 +2,8 @@ #include -#include "module_base/lapack_connector.h" -#include "module_base/scalapack_connector.h" +#include "source_base/lapack_connector.h" +#include "source_base/scalapack_connector.h" namespace module_tddft { diff --git a/source/module_hamilt_lcao/module_tddft/td_current.cpp b/source/module_hamilt_lcao/module_tddft/td_current.cpp index 558ab304cc..d307b5a256 100644 --- a/source/module_hamilt_lcao/module_tddft/td_current.cpp +++ b/source/module_hamilt_lcao/module_tddft/td_current.cpp @@ -1,7 +1,7 @@ #include "td_current.h" #ifdef __LCAO -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include "module_hamilt_lcao/module_tddft/snap_psibeta_half_tddft.h" #ifdef _OPENMP #include diff --git a/source/module_hamilt_lcao/module_tddft/td_current.h b/source/module_hamilt_lcao/module_tddft/td_current.h index 2d4fa5c1b1..b0c3a38c57 100644 --- a/source/module_hamilt_lcao/module_tddft/td_current.h +++ b/source/module_hamilt_lcao/module_tddft/td_current.h @@ -7,7 +7,7 @@ #include "module_hamilt_lcao/module_hcontainer/hcontainer.h" #include "module_basis/module_nao/two_center_integrator.h" #include "td_velocity.h" -#include "module_base/vector3.h" +#include "source_base/vector3.h" #ifdef __LCAO //design to calculate current for length gauge diff --git a/source/module_hamilt_lcao/module_tddft/td_velocity.h b/source/module_hamilt_lcao/module_tddft/td_velocity.h index 1fdc1dd5c4..a16e2b83e8 100644 --- a/source/module_hamilt_lcao/module_tddft/td_velocity.h +++ b/source/module_hamilt_lcao/module_tddft/td_velocity.h @@ -1,7 +1,7 @@ #ifndef TD_VELOCITY_H #define TD_VELOCITY_H -#include "module_base/abfs-vector3_order.h" -#include "module_base/timer.h" +#include "source_base/abfs-vector3_order.h" +#include "source_base/timer.h" #include "module_hamilt_lcao/module_hcontainer/hcontainer.h" #include diff --git a/source/module_hamilt_lcao/module_tddft/test/band_energy_test.cpp b/source/module_hamilt_lcao/module_tddft/test/band_energy_test.cpp index 706b50a603..a32e10ba71 100644 --- a/source/module_hamilt_lcao/module_tddft/test/band_energy_test.cpp +++ b/source/module_hamilt_lcao/module_tddft/test/band_energy_test.cpp @@ -1,7 +1,7 @@ #include "module_hamilt_lcao/module_tddft/band_energy.h" #include -#include +#include #include #include "module_basis/module_ao/parallel_orbitals.h" diff --git a/source/module_hamilt_lcao/module_tddft/test/middle_hamilt_test.cpp b/source/module_hamilt_lcao/module_tddft/test/middle_hamilt_test.cpp index 6ac920400a..a7fecf63e1 100644 --- a/source/module_hamilt_lcao/module_tddft/test/middle_hamilt_test.cpp +++ b/source/module_hamilt_lcao/module_tddft/test/middle_hamilt_test.cpp @@ -1,11 +1,11 @@ #include "module_hamilt_lcao/module_tddft/middle_hamilt.h" -#include "module_base/global_variable.h" // GlobalV::ofs_running +#include "source_base/global_variable.h" // GlobalV::ofs_running #include "module_basis/module_ao/parallel_orbitals.h" #include "tddft_test.h" #include -#include +#include #include /************************************************ diff --git a/source/module_hamilt_lcao/module_tddft/test/norm_psi_test.cpp b/source/module_hamilt_lcao/module_tddft/test/norm_psi_test.cpp index e4b8852c95..f2692870b3 100644 --- a/source/module_hamilt_lcao/module_tddft/test/norm_psi_test.cpp +++ b/source/module_hamilt_lcao/module_tddft/test/norm_psi_test.cpp @@ -1,11 +1,11 @@ #include "module_hamilt_lcao/module_tddft/norm_psi.h" -#include "module_base/global_variable.h" // GlobalV::ofs_running +#include "source_base/global_variable.h" // GlobalV::ofs_running #include "module_basis/module_ao/parallel_orbitals.h" #include "tddft_test.h" #include -#include +#include #include /************************************************ diff --git a/source/module_hamilt_lcao/module_tddft/test/propagator_test1.cpp b/source/module_hamilt_lcao/module_tddft/test/propagator_test1.cpp index 0002ee4b44..80bf8cb3d7 100644 --- a/source/module_hamilt_lcao/module_tddft/test/propagator_test1.cpp +++ b/source/module_hamilt_lcao/module_tddft/test/propagator_test1.cpp @@ -6,7 +6,7 @@ #include "module_parameter/parameter.h" #include "tddft_test.h" -#include +#include #include /************************************************ diff --git a/source/module_hamilt_lcao/module_tddft/test/propagator_test2.cpp b/source/module_hamilt_lcao/module_tddft/test/propagator_test2.cpp index 7ff2416a6a..7b05804f5c 100644 --- a/source/module_hamilt_lcao/module_tddft/test/propagator_test2.cpp +++ b/source/module_hamilt_lcao/module_tddft/test/propagator_test2.cpp @@ -6,7 +6,7 @@ #include "module_parameter/parameter.h" #include "tddft_test.h" -#include +#include #include /************************************************ diff --git a/source/module_hamilt_lcao/module_tddft/test/propagator_test3.cpp b/source/module_hamilt_lcao/module_tddft/test/propagator_test3.cpp index faabe0019d..8e59906b18 100644 --- a/source/module_hamilt_lcao/module_tddft/test/propagator_test3.cpp +++ b/source/module_hamilt_lcao/module_tddft/test/propagator_test3.cpp @@ -6,7 +6,7 @@ #include "module_parameter/parameter.h" #include "tddft_test.h" -#include +#include #include /************************************************ diff --git a/source/module_hamilt_lcao/module_tddft/test/tddft_test.cpp b/source/module_hamilt_lcao/module_tddft/test/tddft_test.cpp index a55ad59681..f3eec74202 100644 --- a/source/module_hamilt_lcao/module_tddft/test/tddft_test.cpp +++ b/source/module_hamilt_lcao/module_tddft/test/tddft_test.cpp @@ -3,8 +3,8 @@ #include #include -#include "module_base/blacs_connector.h" -#include "module_base/scalapack_connector.h" +#include "source_base/blacs_connector.h" +#include "source_base/scalapack_connector.h" #include "module_basis/module_ao/parallel_orbitals.h" /************************************************ diff --git a/source/module_hamilt_lcao/module_tddft/test/upsi_test1.cpp b/source/module_hamilt_lcao/module_tddft/test/upsi_test1.cpp index 6ffe45a3bd..25558c9c42 100644 --- a/source/module_hamilt_lcao/module_tddft/test/upsi_test1.cpp +++ b/source/module_hamilt_lcao/module_tddft/test/upsi_test1.cpp @@ -1,10 +1,10 @@ -#include "module_base/global_variable.h" // GlobalV::ofs_running +#include "source_base/global_variable.h" // GlobalV::ofs_running #include "module_basis/module_ao/parallel_orbitals.h" #include "module_hamilt_lcao/module_tddft/upsi.h" #include "tddft_test.h" #include -#include +#include #include #define doublethreshold 1e-8 diff --git a/source/module_hamilt_lcao/module_tddft/test/upsi_test2.cpp b/source/module_hamilt_lcao/module_tddft/test/upsi_test2.cpp index 915b2a248b..cc9010fef6 100644 --- a/source/module_hamilt_lcao/module_tddft/test/upsi_test2.cpp +++ b/source/module_hamilt_lcao/module_tddft/test/upsi_test2.cpp @@ -1,10 +1,10 @@ -#include "module_base/global_variable.h" // GlobalV::ofs_running +#include "source_base/global_variable.h" // GlobalV::ofs_running #include "module_basis/module_ao/parallel_orbitals.h" #include "module_hamilt_lcao/module_tddft/upsi.h" #include "tddft_test.h" #include -#include +#include #include #define doublethreshold 1e-8 diff --git a/source/module_hamilt_lcao/module_tddft/test/upsi_test3.cpp b/source/module_hamilt_lcao/module_tddft/test/upsi_test3.cpp index cf5e177b13..dbb332b453 100644 --- a/source/module_hamilt_lcao/module_tddft/test/upsi_test3.cpp +++ b/source/module_hamilt_lcao/module_tddft/test/upsi_test3.cpp @@ -1,10 +1,10 @@ -#include "module_base/global_variable.h" // GlobalV::ofs_running +#include "source_base/global_variable.h" // GlobalV::ofs_running #include "module_basis/module_ao/parallel_orbitals.h" #include "module_hamilt_lcao/module_tddft/upsi.h" #include "tddft_test.h" #include -#include +#include #include #define doublethreshold 1e-8 diff --git a/source/module_hamilt_lcao/module_tddft/upsi.cpp b/source/module_hamilt_lcao/module_tddft/upsi.cpp index cc9a2448a8..15d78f19e2 100644 --- a/source/module_hamilt_lcao/module_tddft/upsi.cpp +++ b/source/module_hamilt_lcao/module_tddft/upsi.cpp @@ -1,8 +1,8 @@ #include "upsi.h" -#include "module_base/lapack_connector.h" -#include "module_base/module_container/ATen/kernels/blas.h" -#include "module_base/scalapack_connector.h" +#include "source_base/lapack_connector.h" +#include "source_base/module_container/ATen/kernels/blas.h" +#include "source_base/scalapack_connector.h" #include #include diff --git a/source/module_hamilt_lcao/module_tddft/upsi.h b/source/module_hamilt_lcao/module_tddft/upsi.h index c687a18fed..b65d2e5f77 100644 --- a/source/module_hamilt_lcao/module_tddft/upsi.h +++ b/source/module_hamilt_lcao/module_tddft/upsi.h @@ -7,7 +7,7 @@ #ifndef UPSI_H #define UPSI_H -#include "module_base/module_container/ATen/core/tensor.h" // ct::Tensor +#include "source_base/module_container/ATen/core/tensor.h" // ct::Tensor #include "module_basis/module_ao/parallel_orbitals.h" #include diff --git a/source/module_hamilt_pw/hamilt_ofdft/kedf_lkt.cpp b/source/module_hamilt_pw/hamilt_ofdft/kedf_lkt.cpp index 733c10bc4c..ed3da4ad22 100644 --- a/source/module_hamilt_pw/hamilt_ofdft/kedf_lkt.cpp +++ b/source/module_hamilt_pw/hamilt_ofdft/kedf_lkt.cpp @@ -3,7 +3,7 @@ #include "module_parameter/parameter.h" #include -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_reduce.h" void KEDF_LKT::set_para(double dV, double lkt_a) { diff --git a/source/module_hamilt_pw/hamilt_ofdft/kedf_lkt.h b/source/module_hamilt_pw/hamilt_ofdft/kedf_lkt.h index 6df93bfb33..a08bf42acb 100644 --- a/source/module_hamilt_pw/hamilt_ofdft/kedf_lkt.h +++ b/source/module_hamilt_pw/hamilt_ofdft/kedf_lkt.h @@ -3,10 +3,10 @@ #include #include -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/matrix.h" -#include "module_base/timer.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/matrix.h" +#include "source_base/timer.h" #include "module_basis/module_pw/pw_basis.h" /** diff --git a/source/module_hamilt_pw/hamilt_ofdft/kedf_ml.cpp b/source/module_hamilt_pw/hamilt_ofdft/kedf_ml.cpp index e30555f75c..174c726c06 100644 --- a/source/module_hamilt_pw/hamilt_ofdft/kedf_ml.cpp +++ b/source/module_hamilt_pw/hamilt_ofdft/kedf_ml.cpp @@ -3,8 +3,8 @@ #include "kedf_ml.h" #include "npy.hpp" -#include "module_base/parallel_reduce.h" -#include "module_base/global_function.h" +#include "source_base/parallel_reduce.h" +#include "source_base/global_function.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" void KEDF_ML::set_para( diff --git a/source/module_hamilt_pw/hamilt_ofdft/kedf_ml_pot.cpp b/source/module_hamilt_pw/hamilt_ofdft/kedf_ml_pot.cpp index 40d25a36a2..a371eb669f 100644 --- a/source/module_hamilt_pw/hamilt_ofdft/kedf_ml_pot.cpp +++ b/source/module_hamilt_pw/hamilt_ofdft/kedf_ml_pot.cpp @@ -2,8 +2,8 @@ #include "kedf_ml.h" -#include "module_base/parallel_reduce.h" -#include "module_base/global_function.h" +#include "source_base/parallel_reduce.h" +#include "source_base/global_function.h" /** * @brief Calculate the Pauli potential of ML KEDF diff --git a/source/module_hamilt_pw/hamilt_ofdft/kedf_tf.cpp b/source/module_hamilt_pw/hamilt_ofdft/kedf_tf.cpp index 97c0f65f2f..3c56ac7b4b 100644 --- a/source/module_hamilt_pw/hamilt_ofdft/kedf_tf.cpp +++ b/source/module_hamilt_pw/hamilt_ofdft/kedf_tf.cpp @@ -3,7 +3,7 @@ #include "module_parameter/parameter.h" #include -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_reduce.h" void KEDF_TF::set_para(int nx, double dV, double tf_weight) { diff --git a/source/module_hamilt_pw/hamilt_ofdft/kedf_tf.h b/source/module_hamilt_pw/hamilt_ofdft/kedf_tf.h index b9c247cecc..e3a0f58a5f 100644 --- a/source/module_hamilt_pw/hamilt_ofdft/kedf_tf.h +++ b/source/module_hamilt_pw/hamilt_ofdft/kedf_tf.h @@ -3,10 +3,10 @@ #include #include -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/matrix.h" -#include "module_base/timer.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/matrix.h" +#include "source_base/timer.h" /** * @brief A class which calculates the kinetic energy, potential, and stress with Thomas-Fermi (TF) KEDF. diff --git a/source/module_hamilt_pw/hamilt_ofdft/kedf_vw.cpp b/source/module_hamilt_pw/hamilt_ofdft/kedf_vw.cpp index d22a499a88..605d38fad2 100644 --- a/source/module_hamilt_pw/hamilt_ofdft/kedf_vw.cpp +++ b/source/module_hamilt_pw/hamilt_ofdft/kedf_vw.cpp @@ -3,7 +3,7 @@ #include "module_parameter/parameter.h" #include -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_reduce.h" void KEDF_vW::set_para(double dV, double vw_weight) { diff --git a/source/module_hamilt_pw/hamilt_ofdft/kedf_vw.h b/source/module_hamilt_pw/hamilt_ofdft/kedf_vw.h index 7f5cd47c40..e987b544b7 100644 --- a/source/module_hamilt_pw/hamilt_ofdft/kedf_vw.h +++ b/source/module_hamilt_pw/hamilt_ofdft/kedf_vw.h @@ -3,10 +3,10 @@ #include #include -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/matrix.h" -#include "module_base/timer.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/matrix.h" +#include "source_base/timer.h" #include "module_basis/module_pw/pw_basis.h" /** diff --git a/source/module_hamilt_pw/hamilt_ofdft/kedf_wt.cpp b/source/module_hamilt_pw/hamilt_ofdft/kedf_wt.cpp index 312d4a2890..8c9cecaeb9 100644 --- a/source/module_hamilt_pw/hamilt_ofdft/kedf_wt.cpp +++ b/source/module_hamilt_pw/hamilt_ofdft/kedf_wt.cpp @@ -3,9 +3,9 @@ #include "module_parameter/parameter.h" #include -#include "module_base/global_variable.h" -#include "module_base/parallel_reduce.h" -#include "module_base/tool_quit.h" +#include "source_base/global_variable.h" +#include "source_base/parallel_reduce.h" +#include "source_base/tool_quit.h" /** * @brief Set the parameters of WT KEDF, and initialize kernel diff --git a/source/module_hamilt_pw/hamilt_ofdft/kedf_wt.h b/source/module_hamilt_pw/hamilt_ofdft/kedf_wt.h index a08f08c05e..46d4fb122a 100644 --- a/source/module_hamilt_pw/hamilt_ofdft/kedf_wt.h +++ b/source/module_hamilt_pw/hamilt_ofdft/kedf_wt.h @@ -3,10 +3,10 @@ #include #include -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/matrix.h" -#include "module_base/timer.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/matrix.h" +#include "source_base/timer.h" #include "module_basis/module_pw/pw_basis.h" /** diff --git a/source/module_hamilt_pw/hamilt_ofdft/of_stress_pw.cpp b/source/module_hamilt_pw/hamilt_ofdft/of_stress_pw.cpp index 5f42c12624..2980934075 100644 --- a/source/module_hamilt_pw/hamilt_ofdft/of_stress_pw.cpp +++ b/source/module_hamilt_pw/hamilt_ofdft/of_stress_pw.cpp @@ -1,6 +1,6 @@ #include "of_stress_pw.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_hamilt_general/module_vdw/vdw.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_io/output_log.h" diff --git a/source/module_hamilt_pw/hamilt_pwdft/VL_in_pw.cpp b/source/module_hamilt_pw/hamilt_pwdft/VL_in_pw.cpp index 0917deb22a..88be1210ce 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/VL_in_pw.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/VL_in_pw.cpp @@ -1,8 +1,8 @@ #include "VL_in_pw.h" #include "module_parameter/parameter.h" -#include "module_base/libm/libm.h" -#include "module_base/math_integral.h" -#include "module_base/timer.h" +#include "source_base/libm/libm.h" +#include "source_base/math_integral.h" +#include "source_base/timer.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" pseudopot_cell_vl::pseudopot_cell_vl() diff --git a/source/module_hamilt_pw/hamilt_pwdft/VL_in_pw.h b/source/module_hamilt_pw/hamilt_pwdft/VL_in_pw.h index 5d439216bb..597cac9e23 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/VL_in_pw.h +++ b/source/module_hamilt_pw/hamilt_pwdft/VL_in_pw.h @@ -1,9 +1,9 @@ #ifndef VL_IN_PW_H #define VL_IN_PW_H -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/matrix.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/matrix.h" #include "module_basis/module_pw/pw_basis.h" #include "module_cell/unitcell.h" diff --git a/source/module_hamilt_pw/hamilt_pwdft/VNL_grad_pw.cpp b/source/module_hamilt_pw/hamilt_pwdft/VNL_grad_pw.cpp index 856ca038f7..1e38a7bc7e 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/VNL_grad_pw.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/VNL_grad_pw.cpp @@ -1,10 +1,10 @@ #include "VNL_in_pw.h" -#include "module_base/math_sphbes.h" +#include "source_base/math_sphbes.h" #include "module_parameter/parameter.h" -#include "module_base/timer.h" -#include "module_base/math_ylmreal.h" -#include "module_base/math_integral.h" -#include "module_base/math_polyint.h" +#include "source_base/timer.h" +#include "source_base/math_ylmreal.h" +#include "source_base/math_integral.h" +#include "source_base/math_polyint.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" void pseudopot_cell_vnl::initgradq_vnl(const UnitCell &cell) { diff --git a/source/module_hamilt_pw/hamilt_pwdft/VNL_in_pw.cpp b/source/module_hamilt_pw/hamilt_pwdft/VNL_in_pw.cpp index ee9b2bb659..cb3fd3300a 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/VNL_in_pw.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/VNL_in_pw.cpp @@ -1,16 +1,16 @@ #include "VNL_in_pw.h" #include "module_parameter/parameter.h" -#include "module_base/clebsch_gordan_coeff.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/math_integral.h" -#include "module_base/math_polyint.h" -#include "module_base/math_sphbes.h" -#include "module_base/math_ylmreal.h" -#include "module_base/memory.h" -#include "module_base/module_device/device.h" -#include "module_base/timer.h" +#include "source_base/clebsch_gordan_coeff.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/math_integral.h" +#include "source_base/math_polyint.h" +#include "source_base/math_sphbes.h" +#include "source_base/math_ylmreal.h" +#include "source_base/memory.h" +#include "source_base/module_device/device.h" +#include "source_base/timer.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_hamilt_pw/hamilt_pwdft/kernels/vnl_op.h" diff --git a/source/module_hamilt_pw/hamilt_pwdft/VNL_in_pw.h b/source/module_hamilt_pw/hamilt_pwdft/VNL_in_pw.h index 1e9fdaa762..0ef56b0e0b 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/VNL_in_pw.h +++ b/source/module_hamilt_pw/hamilt_pwdft/VNL_in_pw.h @@ -1,10 +1,10 @@ #ifndef VNL_IN_PW_H #define VNL_IN_PW_H -#include "module_base/complexarray.h" -#include "module_base/complexmatrix.h" -#include "module_base/intarray.h" -#include "module_base/realarray.h" +#include "source_base/complexarray.h" +#include "source_base/complexmatrix.h" +#include "source_base/intarray.h" +#include "source_base/realarray.h" #include "module_cell/unitcell.h" #include "module_hamilt_pw/hamilt_pwdft/soc.h" #include "module_hamilt_pw/hamilt_pwdft/structure_factor.h" diff --git a/source/module_hamilt_pw/hamilt_pwdft/elecond.cpp b/source/module_hamilt_pw/hamilt_pwdft/elecond.cpp index 6e70c8d195..59f612161b 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/elecond.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/elecond.cpp @@ -1,9 +1,9 @@ #include "elecond.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/kernels/math_kernel_op.h" -#include "module_base/parallel_device.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/kernels/math_kernel_op.h" +#include "source_base/parallel_device.h" #include "module_elecstate/occupy.h" #include "module_io/binstream.h" #include "module_parameter/parameter.h" diff --git a/source/module_hamilt_pw/hamilt_pwdft/elecond.h b/source/module_hamilt_pw/hamilt_pwdft/elecond.h index 8ccc0a1408..7c48529937 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/elecond.h +++ b/source/module_hamilt_pw/hamilt_pwdft/elecond.h @@ -1,7 +1,7 @@ #ifndef ELECOND_H #define ELECOND_H -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "module_basis/module_pw/pw_basis_k.h" #include "module_cell/klist.h" #include "module_cell/unitcell.h" diff --git a/source/module_hamilt_pw/hamilt_pwdft/forces.cpp b/source/module_hamilt_pw/hamilt_pwdft/forces.cpp index a722bc5449..f8adc6a8f3 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/forces.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/forces.cpp @@ -4,12 +4,12 @@ #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_io/output_log.h" // new -#include "module_base/complexmatrix.h" -#include "module_base/libm/libm.h" -#include "module_base/math_integral.h" -#include "module_base/mathzone.h" -#include "module_base/timer.h" -#include "module_base/tool_threading.h" +#include "source_base/complexmatrix.h" +#include "source_base/libm/libm.h" +#include "source_base/math_integral.h" +#include "source_base/mathzone.h" +#include "source_base/timer.h" +#include "source_base/tool_threading.h" #include "module_elecstate/module_pot/efield.h" #include "module_elecstate/module_pot/gatefield.h" #include "module_hamilt_general/module_ewald/H_Ewald_pw.h" diff --git a/source/module_hamilt_pw/hamilt_pwdft/forces.h b/source/module_hamilt_pw/hamilt_pwdft/forces.h index 5e62291761..5ee2302675 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/forces.h +++ b/source/module_hamilt_pw/hamilt_pwdft/forces.h @@ -1,17 +1,17 @@ #ifndef FORCES_H #define FORCES_H -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/matrix.h" -#include "module_base/module_device/memory_op.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/matrix.h" +#include "source_base/module_device/memory_op.h" #include "module_basis/module_pw/pw_basis_k.h" #include "module_cell/klist.h" #include "module_cell/module_symmetry/symmetry.h" #include "module_elecstate/elecstate.h" #include "module_hamilt_pw/hamilt_pwdft/VL_in_pw.h" #include "module_hamilt_pw/hamilt_pwdft/kernels/force_op.h" -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/kernels/math_kernel_op.h" #include "module_psi/psi.h" #include "structure_factor.h" diff --git a/source/module_hamilt_pw/hamilt_pwdft/forces_cc.cpp b/source/module_hamilt_pw/hamilt_pwdft/forces_cc.cpp index eaf83816e3..b8356b8281 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/forces_cc.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/forces_cc.cpp @@ -3,12 +3,12 @@ #include "module_parameter/parameter.h" #include "module_io/output_log.h" // new -#include "module_base/complexmatrix.h" -#include "module_base/libm/libm.h" -#include "module_base/math_integral.h" -#include "module_base/mathzone.h" -#include "module_base/timer.h" -#include "module_base/tool_threading.h" +#include "source_base/complexmatrix.h" +#include "source_base/libm/libm.h" +#include "source_base/math_integral.h" +#include "source_base/mathzone.h" +#include "source_base/timer.h" +#include "source_base/tool_threading.h" #include "module_elecstate/cal_ux.h" #include "module_elecstate/module_pot/efield.h" #include "module_elecstate/module_pot/gatefield.h" diff --git a/source/module_hamilt_pw/hamilt_pwdft/forces_nl.cpp b/source/module_hamilt_pw/hamilt_pwdft/forces_nl.cpp index bd615f0eef..c0c033115c 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/forces_nl.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/forces_nl.cpp @@ -1,6 +1,6 @@ #include "forces.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include "module_hamilt_pw/hamilt_pwdft/fs_nonlocal_tools.h" #ifdef _OPENMP diff --git a/source/module_hamilt_pw/hamilt_pwdft/forces_onsite.cpp b/source/module_hamilt_pw/hamilt_pwdft/forces_onsite.cpp index 36f90f0001..d6a501223b 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/forces_onsite.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/forces_onsite.cpp @@ -1,6 +1,6 @@ #include "forces.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include "module_hamilt_pw/hamilt_pwdft/onsite_projector.h" #include "module_hamilt_pw/hamilt_pwdft/kernels/force_op.h" #include "module_parameter/parameter.h" diff --git a/source/module_hamilt_pw/hamilt_pwdft/forces_scc.cpp b/source/module_hamilt_pw/hamilt_pwdft/forces_scc.cpp index 7928d38b22..cc17003689 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/forces_scc.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/forces_scc.cpp @@ -2,12 +2,12 @@ #include "module_io/output_log.h" #include "stress_func.h" // new -#include "module_base/complexmatrix.h" -#include "module_base/libm/libm.h" -#include "module_base/math_integral.h" -#include "module_base/mathzone.h" -#include "module_base/timer.h" -#include "module_base/tool_threading.h" +#include "source_base/complexmatrix.h" +#include "source_base/libm/libm.h" +#include "source_base/math_integral.h" +#include "source_base/mathzone.h" +#include "source_base/timer.h" +#include "source_base/tool_threading.h" #include "module_elecstate/module_pot/efield.h" #include "module_elecstate/module_pot/gatefield.h" #include "module_hamilt_general/module_ewald/H_Ewald_pw.h" diff --git a/source/module_hamilt_pw/hamilt_pwdft/forces_us.cpp b/source/module_hamilt_pw/hamilt_pwdft/forces_us.cpp index efa8009e63..a3884fdc25 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/forces_us.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/forces_us.cpp @@ -1,8 +1,8 @@ #include "forces.h" -#include "module_base/libm/libm.h" +#include "source_base/libm/libm.h" #include "module_parameter/parameter.h" -#include "module_base/math_ylmreal.h" -#include "module_base/timer.h" +#include "source_base/math_ylmreal.h" +#include "source_base/timer.h" #include "module_elecstate/elecstate_pw.h" // This routine computes the contribution to atomic forces due diff --git a/source/module_hamilt_pw/hamilt_pwdft/fs_kin_tools.cpp b/source/module_hamilt_pw/hamilt_pwdft/fs_kin_tools.cpp index 00049866f9..853ae34abd 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/fs_kin_tools.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/fs_kin_tools.cpp @@ -1,6 +1,6 @@ #include "fs_kin_tools.h" -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_reduce.h" namespace hamilt { template diff --git a/source/module_hamilt_pw/hamilt_pwdft/fs_kin_tools.h b/source/module_hamilt_pw/hamilt_pwdft/fs_kin_tools.h index b6327cf47f..ae5f84336d 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/fs_kin_tools.h +++ b/source/module_hamilt_pw/hamilt_pwdft/fs_kin_tools.h @@ -1,6 +1,6 @@ #ifndef FS_KIN_TOOLS_H #define FS_KIN_TOOLS_H -#include "module_base/module_device/device.h" +#include "source_base/module_device/device.h" #include "module_basis/module_pw/pw_basis_k.h" #include "module_cell/klist.h" #include "module_cell/unitcell.h" diff --git a/source/module_hamilt_pw/hamilt_pwdft/fs_nonlocal_tools.cpp b/source/module_hamilt_pw/hamilt_pwdft/fs_nonlocal_tools.cpp index 95e5d337bc..5a0ddea93c 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/fs_nonlocal_tools.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/fs_nonlocal_tools.cpp @@ -1,16 +1,16 @@ #include "fs_nonlocal_tools.h" -#include "module_base/math_polyint.h" -#include "module_base/math_ylmreal.h" -#include "module_base/memory.h" -#include "module_base/parallel_device.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/math_polyint.h" +#include "source_base/math_ylmreal.h" +#include "source_base/memory.h" +#include "source_base/parallel_device.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include "module_hamilt_pw/hamilt_pwdft/kernels/force_op.h" #include "module_parameter/parameter.h" #include "nonlocal_maths.hpp" -#include "module_base/parallel_comm.h" // different MPI worlds (POOL_WORLD) +#include "source_base/parallel_comm.h" // different MPI worlds (POOL_WORLD) namespace hamilt { diff --git a/source/module_hamilt_pw/hamilt_pwdft/fs_nonlocal_tools.h b/source/module_hamilt_pw/hamilt_pwdft/fs_nonlocal_tools.h index 64a76e700d..b8e3ad8a96 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/fs_nonlocal_tools.h +++ b/source/module_hamilt_pw/hamilt_pwdft/fs_nonlocal_tools.h @@ -1,13 +1,13 @@ #ifndef W_ABACUS_DEVELOP_ABACUS_DEVELOP_SOURCE_MODULE_HAMILT_PW_HAMILT_PWDFT_FS_NONLOCAL_TOOLS_H #define W_ABACUS_DEVELOP_ABACUS_DEVELOP_SOURCE_MODULE_HAMILT_PW_HAMILT_PWDFT_FS_NONLOCAL_TOOLS_H -#include "module_base/module_device/device.h" +#include "source_base/module_device/device.h" #include "module_basis/module_pw/pw_basis_k.h" #include "module_cell/klist.h" #include "module_cell/unitcell.h" #include "module_hamilt_pw/hamilt_pwdft/VNL_in_pw.h" #include "module_hamilt_pw/hamilt_pwdft/kernels/stress_op.h" -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/kernels/math_kernel_op.h" #include "module_psi/psi.h" #include diff --git a/source/module_hamilt_pw/hamilt_pwdft/global.h b/source/module_hamilt_pw/hamilt_pwdft/global.h index d6f6be697f..202e35d129 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/global.h +++ b/source/module_hamilt_pw/hamilt_pwdft/global.h @@ -1,8 +1,8 @@ #ifndef GLOBAL_H #define GLOBAL_H -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" #include "module_elecstate/module_charge/charge_mixing.h" #include "module_hamilt_pw/hamilt_pwdft/VNL_in_pw.h" #include "module_io/restart.h" diff --git a/source/module_hamilt_pw/hamilt_pwdft/hamilt_pw.cpp b/source/module_hamilt_pw/hamilt_pwdft/hamilt_pw.cpp index 07087eb50a..87c4d2ce42 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/hamilt_pw.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/hamilt_pw.cpp @@ -1,9 +1,9 @@ #include "hamilt_pw.h" #include "module_parameter/parameter.h" -#include "module_base/blas_connector.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/blas_connector.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "operator_pw/veff_pw.h" diff --git a/source/module_hamilt_pw/hamilt_pwdft/hamilt_pw.h b/source/module_hamilt_pw/hamilt_pwdft/hamilt_pw.h index fe5abdc4ef..10a81c45c4 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/hamilt_pw.h +++ b/source/module_hamilt_pw/hamilt_pwdft/hamilt_pw.h @@ -1,13 +1,13 @@ #ifndef HAMILTPW_H #define HAMILTPW_H -#include "module_base/macros.h" +#include "source_base/macros.h" #include "module_cell/klist.h" #include "module_elecstate/module_pot/potential_new.h" #include "source_esolver/esolver_ks_pw.h" #include "module_hamilt_general/hamilt.h" #include "module_hamilt_pw/hamilt_pwdft/VNL_in_pw.h" -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/kernels/math_kernel_op.h" #include "module_hamilt_pw/hamilt_pwdft/module_exx_helper/exx_helper.h" namespace hamilt diff --git a/source/module_hamilt_pw/hamilt_pwdft/kernels/cuda/force_op.cu b/source/module_hamilt_pw/hamilt_pwdft/kernels/cuda/force_op.cu index 5d0656d105..f659ae03c4 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/kernels/cuda/force_op.cu +++ b/source/module_hamilt_pw/hamilt_pwdft/kernels/cuda/force_op.cu @@ -1,13 +1,13 @@ #include "module_hamilt_pw/hamilt_pwdft/kernels/force_op.h" // #include "module_psi/kernels/device.h" -#include "module_base/module_device/types.h" +#include "source_base/module_device/types.h" #include #include #include #include -#include +#include #define THREADS_PER_BLOCK 256 diff --git a/source/module_hamilt_pw/hamilt_pwdft/kernels/cuda/stress_op.cu b/source/module_hamilt_pw/hamilt_pwdft/kernels/cuda/stress_op.cu index dfca5c4e8e..e8f5187b35 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/kernels/cuda/stress_op.cu +++ b/source/module_hamilt_pw/hamilt_pwdft/kernels/cuda/stress_op.cu @@ -1,11 +1,11 @@ #include "module_hamilt_pw/hamilt_pwdft/kernels/stress_op.h" #include "vnl_tools_cu.hpp" -#include "module_base/module_device/types.h" +#include "source_base/module_device/types.h" #include #include #include -#include +#include #include diff --git a/source/module_hamilt_pw/hamilt_pwdft/kernels/stress_op.cpp b/source/module_hamilt_pw/hamilt_pwdft/kernels/stress_op.cpp index 8c26ca9f13..2aea737f3d 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/kernels/stress_op.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/kernels/stress_op.cpp @@ -1,9 +1,9 @@ #include "module_hamilt_pw/hamilt_pwdft/kernels/stress_op.h" -#include "module_base/constants.h" -#include "module_base/libm/libm.h" -#include "module_base/math_polyint.h" -#include "module_base/memory.h" +#include "source_base/constants.h" +#include "source_base/libm/libm.h" +#include "source_base/math_polyint.h" +#include "source_base/memory.h" #include "module_hamilt_pw/hamilt_pwdft/kernels/vnl_op.h" #include "vnl_tools.hpp" diff --git a/source/module_hamilt_pw/hamilt_pwdft/kernels/stress_op.h b/source/module_hamilt_pw/hamilt_pwdft/kernels/stress_op.h index 7fecd96d75..e388f278d4 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/kernels/stress_op.h +++ b/source/module_hamilt_pw/hamilt_pwdft/kernels/stress_op.h @@ -5,7 +5,7 @@ #include "module_psi/psi.h" #include -#include +#include namespace hamilt { diff --git a/source/module_hamilt_pw/hamilt_pwdft/kernels/test/ekinetic_op_test.cpp b/source/module_hamilt_pw/hamilt_pwdft/kernels/test/ekinetic_op_test.cpp index 7c06dfc154..149b820f49 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/kernels/test/ekinetic_op_test.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/kernels/test/ekinetic_op_test.cpp @@ -1,6 +1,6 @@ #include "module_hamilt_pw/hamilt_pwdft/kernels/ekinetic_op.h" -#include "module_base/module_device/memory_op.h" +#include "source_base/module_device/memory_op.h" #include #include diff --git a/source/module_hamilt_pw/hamilt_pwdft/kernels/test/force_op_test.cpp b/source/module_hamilt_pw/hamilt_pwdft/kernels/test/force_op_test.cpp index be237b64ba..5d86ebc8ac 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/kernels/test/force_op_test.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/kernels/test/force_op_test.cpp @@ -1,6 +1,6 @@ #include "module_hamilt_pw/hamilt_pwdft/kernels/force_op.h" -#include "module_base/module_device/memory_op.h" +#include "source_base/module_device/memory_op.h" #include #include diff --git a/source/module_hamilt_pw/hamilt_pwdft/kernels/test/meta_op_test.cpp b/source/module_hamilt_pw/hamilt_pwdft/kernels/test/meta_op_test.cpp index 85caa61f4b..3583829562 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/kernels/test/meta_op_test.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/kernels/test/meta_op_test.cpp @@ -1,6 +1,6 @@ #include "module_hamilt_pw/hamilt_pwdft/kernels/meta_op.h" -#include "module_base/module_device/memory_op.h" +#include "source_base/module_device/memory_op.h" #include #include diff --git a/source/module_hamilt_pw/hamilt_pwdft/kernels/test/nonlocal_op_test.cpp b/source/module_hamilt_pw/hamilt_pwdft/kernels/test/nonlocal_op_test.cpp index 47deaec255..5acae65767 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/kernels/test/nonlocal_op_test.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/kernels/test/nonlocal_op_test.cpp @@ -1,6 +1,6 @@ #include "module_hamilt_pw/hamilt_pwdft/kernels/nonlocal_op.h" -#include "module_base/module_device/memory_op.h" +#include "source_base/module_device/memory_op.h" #include #include diff --git a/source/module_hamilt_pw/hamilt_pwdft/kernels/test/stress_op_test.cpp b/source/module_hamilt_pw/hamilt_pwdft/kernels/test/stress_op_test.cpp index a3be95fce8..a86be44327 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/kernels/test/stress_op_test.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/kernels/test/stress_op_test.cpp @@ -1,6 +1,6 @@ #include "module_hamilt_pw/hamilt_pwdft/kernels/stress_op.h" -#include "module_base/module_device/memory_op.h" +#include "source_base/module_device/memory_op.h" #include #include diff --git a/source/module_hamilt_pw/hamilt_pwdft/kernels/test/veff_op_test.cpp b/source/module_hamilt_pw/hamilt_pwdft/kernels/test/veff_op_test.cpp index 56c96157fd..09b7d3b658 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/kernels/test/veff_op_test.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/kernels/test/veff_op_test.cpp @@ -1,6 +1,6 @@ #include "module_hamilt_pw/hamilt_pwdft/kernels/veff_op.h" -#include "module_base/module_device/memory_op.h" +#include "source_base/module_device/memory_op.h" #include #include diff --git a/source/module_hamilt_pw/hamilt_pwdft/kernels/test/vnl_op_test.cpp b/source/module_hamilt_pw/hamilt_pwdft/kernels/test/vnl_op_test.cpp index be5e6a8a68..fe1a1c804d 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/kernels/test/vnl_op_test.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/kernels/test/vnl_op_test.cpp @@ -1,6 +1,6 @@ #include "module_hamilt_pw/hamilt_pwdft/kernels/vnl_op.h" -#include "module_base/module_device/memory_op.h" +#include "source_base/module_device/memory_op.h" #include #include diff --git a/source/module_hamilt_pw/hamilt_pwdft/kernels/test/wf_op_test.cpp b/source/module_hamilt_pw/hamilt_pwdft/kernels/test/wf_op_test.cpp index 2463234c31..eceb0575eb 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/kernels/test/wf_op_test.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/kernels/test/wf_op_test.cpp @@ -1,6 +1,6 @@ #include "module_hamilt_pw/hamilt_pwdft/kernels/wf_op.h" -#include "module_base/module_device/memory_op.h" +#include "source_base/module_device/memory_op.h" #include #include diff --git a/source/module_hamilt_pw/hamilt_pwdft/kernels/wf_op.cpp b/source/module_hamilt_pw/hamilt_pwdft/kernels/wf_op.cpp index 1faeff358a..d2ec1edb8e 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/kernels/wf_op.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/kernels/wf_op.cpp @@ -1,5 +1,5 @@ #include "module_hamilt_pw/hamilt_pwdft/kernels/wf_op.h" -#include "module_base/libm/libm.h" +#include "source_base/libm/libm.h" namespace hamilt{ diff --git a/source/module_hamilt_pw/hamilt_pwdft/module_exx_helper/exx_helper.h b/source/module_hamilt_pw/hamilt_pwdft/module_exx_helper/exx_helper.h index 95d5cc2597..25d5996329 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/module_exx_helper/exx_helper.h +++ b/source/module_hamilt_pw/hamilt_pwdft/module_exx_helper/exx_helper.h @@ -2,7 +2,7 @@ // For EXX in PW. // #include "module_psi/psi.h" -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_hamilt_pw/hamilt_pwdft/operator_pw/op_exx_pw.h" diff --git a/source/module_hamilt_pw/hamilt_pwdft/nonlocal_maths.hpp b/source/module_hamilt_pw/hamilt_pwdft/nonlocal_maths.hpp index 292ad80d43..e29d077e54 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/nonlocal_maths.hpp +++ b/source/module_hamilt_pw/hamilt_pwdft/nonlocal_maths.hpp @@ -1,13 +1,13 @@ #ifndef HAMILTPW_NONLOCAL_MATHS_H #define HAMILTPW_NONLOCAL_MATHS_H -#include "module_base/module_device/device.h" +#include "source_base/module_device/device.h" #include "module_basis/module_pw/pw_basis_k.h" #include "module_cell/klist.h" #include "module_cell/unitcell.h" #include "module_hamilt_pw/hamilt_pwdft/VNL_in_pw.h" #include "module_hamilt_pw/hamilt_pwdft/kernels/stress_op.h" -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/kernels/math_kernel_op.h" namespace hamilt { diff --git a/source/module_hamilt_pw/hamilt_pwdft/onsite_proj_tools.cpp b/source/module_hamilt_pw/hamilt_pwdft/onsite_proj_tools.cpp index 7b88204eca..ca2453f189 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/onsite_proj_tools.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/onsite_proj_tools.cpp @@ -1,10 +1,10 @@ #include "onsite_proj_tools.h" -#include "module_base/math_polyint.h" -#include "module_base/math_ylmreal.h" -#include "module_base/memory.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/math_polyint.h" +#include "source_base/math_ylmreal.h" +#include "source_base/memory.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include "module_hamilt_pw/hamilt_pwdft/kernels/force_op.h" #include "nonlocal_maths.hpp" diff --git a/source/module_hamilt_pw/hamilt_pwdft/onsite_proj_tools.h b/source/module_hamilt_pw/hamilt_pwdft/onsite_proj_tools.h index 0376a9709f..94bacc1229 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/onsite_proj_tools.h +++ b/source/module_hamilt_pw/hamilt_pwdft/onsite_proj_tools.h @@ -1,13 +1,13 @@ #ifndef MODULEHAMILTPW_ONSITEPROJTOOLS_H #define MODULEHAMILTPW_ONSITEPROJTOOLS_H -#include "module_base/module_device/device.h" +#include "source_base/module_device/device.h" #include "module_basis/module_pw/pw_basis_k.h" #include "module_cell/klist.h" #include "module_cell/unitcell.h" #include "module_hamilt_pw/hamilt_pwdft/VNL_in_pw.h" #include "module_hamilt_pw/hamilt_pwdft/kernels/stress_op.h" -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/kernels/math_kernel_op.h" #include "module_psi/psi.h" #include diff --git a/source/module_hamilt_pw/hamilt_pwdft/onsite_projector.cpp b/source/module_hamilt_pw/hamilt_pwdft/onsite_projector.cpp index 893268ae6d..fdf403e632 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/onsite_projector.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/onsite_projector.cpp @@ -6,16 +6,16 @@ #include #include "module_hamilt_pw/hamilt_pwdft/onsite_projector.h" -#include "module_base/projgen.h" -#include "module_base/blas_connector.h" -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/projgen.h" +#include "source_base/blas_connector.h" +#include "source_base/kernels/math_kernel_op.h" #ifdef __MPI -#include "module_base/parallel_reduce.h" -#include "module_base/parallel_common.h" +#include "source_base/parallel_reduce.h" +#include "source_base/parallel_common.h" #endif #include "module_parameter/parameter.h" -#include "module_base/timer.h" -#include "module_base/formatter.h" +#include "source_base/timer.h" +#include "source_base/formatter.h" /** * =============================================================================================== diff --git a/source/module_hamilt_pw/hamilt_pwdft/onsite_projector.h b/source/module_hamilt_pw/hamilt_pwdft/onsite_projector.h index b34d8291de..04c540e0cf 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/onsite_projector.h +++ b/source/module_hamilt_pw/hamilt_pwdft/onsite_projector.h @@ -1,7 +1,7 @@ #ifndef MODULEHAMILTPW_ONSITEPROJECTOR_H #define MODULEHAMILTPW_ONSITEPROJECTOR_H -#include "module_base/module_device/device.h" -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/module_device/device.h" +#include "source_base/kernels/math_kernel_op.h" #include "module_hamilt_pw/hamilt_pwdft/structure_factor.h" #include "module_basis/module_pw/pw_basis_k.h" #include "module_hamilt_pw/hamilt_pwdft/radial_proj.h" diff --git a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/ekinetic_pw.cpp b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/ekinetic_pw.cpp index 65b6c5b3dc..c776863089 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/ekinetic_pw.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/ekinetic_pw.cpp @@ -1,9 +1,9 @@ #include "ekinetic_pw.h" -#include "module_base/timer.h" -#include "module_base/tool_quit.h" +#include "source_base/timer.h" +#include "source_base/tool_quit.h" -#include "module_base/module_device/device.h" +#include "source_base/module_device/device.h" namespace hamilt { diff --git a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/ekinetic_pw.h b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/ekinetic_pw.h index 8061ae6e2d..87ad93b3a0 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/ekinetic_pw.h +++ b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/ekinetic_pw.h @@ -4,7 +4,7 @@ #include "operator_pw.h" #include "module_hamilt_pw/hamilt_pwdft/kernels/ekinetic_op.h" -#include +#include namespace hamilt { diff --git a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/meta_pw.cpp b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/meta_pw.cpp index 817dba61ce..a87f8758aa 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/meta_pw.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/meta_pw.cpp @@ -1,9 +1,9 @@ #include "meta_pw.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_hamilt_general/module_xc/xc_functional.h" -#include "module_base/tool_quit.h" +#include "source_base/tool_quit.h" namespace hamilt { diff --git a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/meta_pw.h b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/meta_pw.h index 133eed1f5b..736bb81e86 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/meta_pw.h +++ b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/meta_pw.h @@ -2,12 +2,12 @@ #define METAPW_H #include "operator_pw.h" -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "module_basis/module_pw/pw_basis_k.h" #include "module_hamilt_pw/hamilt_pwdft/kernels/meta_op.h" -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/kernels/math_kernel_op.h" -#include +#include namespace hamilt { diff --git a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/nonlocal_pw.cpp b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/nonlocal_pw.cpp index 66e5f04927..2053c3b850 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/nonlocal_pw.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/nonlocal_pw.cpp @@ -1,10 +1,10 @@ #include "nonlocal_pw.h" #include "module_parameter/parameter.h" -#include "module_base/blas_connector.h" -#include "module_base/timer.h" -#include "module_base/parallel_reduce.h" -#include "module_base/tool_quit.h" +#include "source_base/blas_connector.h" +#include "source_base/timer.h" +#include "source_base/parallel_reduce.h" +#include "source_base/tool_quit.h" namespace hamilt { diff --git a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/nonlocal_pw.h b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/nonlocal_pw.h index 2ae106cb96..6714f86b08 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/nonlocal_pw.h +++ b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/nonlocal_pw.h @@ -5,7 +5,7 @@ #include "module_cell/unitcell.h" #include "module_hamilt_pw/hamilt_pwdft/kernels/nonlocal_op.h" -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/kernels/math_kernel_op.h" #include "module_hamilt_pw/hamilt_pwdft/VNL_in_pw.h" diff --git a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/onsite_proj_pw.cpp b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/onsite_proj_pw.cpp index 24c5b11891..5d8702ff9d 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/onsite_proj_pw.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/onsite_proj_pw.cpp @@ -1,9 +1,9 @@ #include "onsite_proj_pw.h" -#include "module_base/blas_connector.h" -#include "module_base/timer.h" -#include "module_base/parallel_reduce.h" -#include "module_base/tool_quit.h" +#include "source_base/blas_connector.h" +#include "source_base/timer.h" +#include "source_base/parallel_reduce.h" +#include "source_base/tool_quit.h" #include "module_hamilt_lcao/module_deltaspin/spin_constrain.h" #include "module_hamilt_lcao/module_dftu/dftu.h" #include "module_hamilt_pw/hamilt_pwdft/onsite_projector.h" diff --git a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/onsite_proj_pw.h b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/onsite_proj_pw.h index b28657d0df..16ab79d5ef 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/onsite_proj_pw.h +++ b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/onsite_proj_pw.h @@ -4,7 +4,7 @@ #include "operator_pw.h" #include "module_cell/unitcell.h" -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/kernels/math_kernel_op.h" namespace hamilt { diff --git a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/op_exx_pw.cpp b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/op_exx_pw.cpp index 022d439fc5..e0c7f0ad90 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/op_exx_pw.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/op_exx_pw.cpp @@ -1,11 +1,11 @@ -#include "module_base/constants.h" -#include "module_base/global_variable.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" +#include "source_base/constants.h" +#include "source_base/global_variable.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" #include "module_cell/klist.h" #include "module_hamilt_general/operator.h" #include "module_psi/psi.h" -#include "module_base/tool_quit.h" +#include "source_base/tool_quit.h" #include #include diff --git a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/op_exx_pw.h b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/op_exx_pw.h index bbf5c46bf3..885c57347e 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/op_exx_pw.h +++ b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/op_exx_pw.h @@ -1,15 +1,15 @@ #ifndef OPEXXPW_H #define OPEXXPW_H -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "module_basis/module_pw/pw_basis.h" #include "module_cell/klist.h" #include "module_psi/psi.h" #include "operator_pw.h" #include "module_basis/module_pw/pw_basis_k.h" -#include "module_base/macros.h" -#include "module_base/kernels/math_kernel_op.h" -#include "module_base/blas_connector.h" +#include "source_base/macros.h" +#include "source_base/kernels/math_kernel_op.h" +#include "source_base/blas_connector.h" #include #include diff --git a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/operator_pw.cpp b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/operator_pw.cpp index f377a7f96a..03cf3620e7 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/operator_pw.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/operator_pw.cpp @@ -1,4 +1,4 @@ -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_hamilt_general/operator.h" #include "module_hamilt_pw/hamilt_pwdft/operator_pw/operator_pw.h" diff --git a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/veff_pw.cpp b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/veff_pw.cpp index c69f55cbb2..e2813b3a9a 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/veff_pw.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/veff_pw.cpp @@ -1,7 +1,7 @@ #include "veff_pw.h" -#include "module_base/timer.h" -#include "module_base/tool_quit.h" +#include "source_base/timer.h" +#include "source_base/tool_quit.h" namespace hamilt { diff --git a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/veff_pw.h b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/veff_pw.h index 5ec042282f..7f04c35c22 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/veff_pw.h +++ b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/veff_pw.h @@ -2,11 +2,11 @@ #define VEFFPW_H #include "operator_pw.h" -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "module_basis/module_pw/pw_basis_k.h" #include "module_hamilt_pw/hamilt_pwdft/kernels/veff_op.h" -#include +#include namespace hamilt { diff --git a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/velocity_pw.cpp b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/velocity_pw.cpp index 3998ef9b85..f9a7aa6333 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/velocity_pw.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/velocity_pw.cpp @@ -1,8 +1,8 @@ #include "velocity_pw.h" -#include "module_base/kernels/math_kernel_op.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" +#include "source_base/kernels/math_kernel_op.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" namespace hamilt { diff --git a/source/module_hamilt_pw/hamilt_pwdft/parallel_grid.cpp b/source/module_hamilt_pw/hamilt_pwdft/parallel_grid.cpp index 6d0eac2c59..ff7550a51d 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/parallel_grid.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/parallel_grid.cpp @@ -1,6 +1,6 @@ #include "parallel_grid.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "module_parameter/parameter.h" Parallel_Grid::Parallel_Grid() { diff --git a/source/module_hamilt_pw/hamilt_pwdft/parallel_grid.h b/source/module_hamilt_pw/hamilt_pwdft/parallel_grid.h index 748a612cd0..6cee615a34 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/parallel_grid.h +++ b/source/module_hamilt_pw/hamilt_pwdft/parallel_grid.h @@ -1,8 +1,8 @@ #ifndef PARALLEL_GRID_H #define PARALLEL_GRID_H -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" class Parallel_Grid { diff --git a/source/module_hamilt_pw/hamilt_pwdft/radial_proj.cpp b/source/module_hamilt_pw/hamilt_pwdft/radial_proj.cpp index 88cfeeadee..11a1175e98 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/radial_proj.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/radial_proj.cpp @@ -4,11 +4,11 @@ #include #include #include "module_hamilt_pw/hamilt_pwdft/radial_proj.h" -#include "module_base/constants.h" -#include "module_base/matrix.h" -#include "module_base/math_ylmreal.h" -#include "module_base/spherical_bessel_transformer.h" -#include "module_base/timer.h" +#include "source_base/constants.h" +#include "source_base/matrix.h" +#include "source_base/math_ylmreal.h" +#include "source_base/spherical_bessel_transformer.h" +#include "source_base/timer.h" void RadialProjection::RadialProjector::_build_backward_map(const std::vector>& it2iproj, const std::vector& iproj2l, @@ -98,7 +98,7 @@ void RadialProjection::RadialProjector::_build_sbt_tab(const int nr, std::vector _temp(nq); // the SphericalBesselTransformer's result is multiplied by one extra factor sqrt(2/pi), should remove it - // see module_base/spherical_bessel_transformer.h and module_base/spherical_bessel_transformer.cpp:328 + // see source_base/spherical_bessel_transformer.h and source_base/spherical_bessel_transformer.cpp:328 const double pref = std::sqrt(2.0/std::acos(-1.0)); for(int i = 0; i < nrad; i++) { diff --git a/source/module_hamilt_pw/hamilt_pwdft/radial_proj.h b/source/module_hamilt_pw/hamilt_pwdft/radial_proj.h index f1e35509e7..0807fcdff7 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/radial_proj.h +++ b/source/module_hamilt_pw/hamilt_pwdft/radial_proj.h @@ -12,8 +12,8 @@ */ -#include "module_base/vector3.h" -#include "module_base/cubic_spline.h" +#include "source_base/vector3.h" +#include "source_base/cubic_spline.h" #include #include #include diff --git a/source/module_hamilt_pw/hamilt_pwdft/soc.h b/source/module_hamilt_pw/hamilt_pwdft/soc.h index f30bc94889..282b77f604 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/soc.h +++ b/source/module_hamilt_pw/hamilt_pwdft/soc.h @@ -1,8 +1,8 @@ #ifndef SOC_H #define SOC_H -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" class Fcoef { diff --git a/source/module_hamilt_pw/hamilt_pwdft/stress_func.h b/source/module_hamilt_pw/hamilt_pwdft/stress_func.h index 20f6a91937..5c9457947b 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/stress_func.h +++ b/source/module_hamilt_pw/hamilt_pwdft/stress_func.h @@ -1,20 +1,20 @@ #ifndef STRESS_FUNC_H #define STRESS_FUNC_H -#include "module_base/complexmatrix.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/matrix.h" -#include "module_base/parallel_reduce.h" -#include "module_base/realarray.h" -#include "module_base/vector3.h" +#include "source_base/complexmatrix.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/matrix.h" +#include "source_base/parallel_reduce.h" +#include "source_base/realarray.h" +#include "source_base/vector3.h" #include "module_basis/module_pw/pw_basis_k.h" #include "module_cell/klist.h" #include "module_elecstate/module_charge/charge.h" #include "module_hamilt_pw/hamilt_pwdft/VNL_in_pw.h" #include "module_hamilt_pw/hamilt_pwdft/kernels/stress_op.h" #include "module_hamilt_pw/hamilt_pwdft/structure_factor.h" -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/kernels/math_kernel_op.h" #include "module_psi/psi.h" //------------------------------------------------------------------- diff --git a/source/module_hamilt_pw/hamilt_pwdft/stress_func_cc.cpp b/source/module_hamilt_pw/hamilt_pwdft/stress_func_cc.cpp index 32d5c2339d..51e0eccb7c 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/stress_func_cc.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/stress_func_cc.cpp @@ -1,8 +1,8 @@ #include "stress_func.h" #include "module_hamilt_general/module_xc/xc_functional.h" #include "module_parameter/parameter.h" -#include "module_base/math_integral.h" -#include "module_base/timer.h" +#include "source_base/math_integral.h" +#include "source_base/timer.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_elecstate/cal_ux.h" diff --git a/source/module_hamilt_pw/hamilt_pwdft/stress_func_ewa.cpp b/source/module_hamilt_pw/hamilt_pwdft/stress_func_ewa.cpp index 8cd845e313..6f8c283a1c 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/stress_func_ewa.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/stress_func_ewa.cpp @@ -1,8 +1,8 @@ #include "stress_func.h" #include "module_hamilt_general/module_ewald/H_Ewald_pw.h" -#include "module_base/timer.h" -#include "module_base/tool_threading.h" -#include "module_base/libm/libm.h" +#include "source_base/timer.h" +#include "source_base/tool_threading.h" +#include "source_base/libm/libm.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #ifdef _OPENMP diff --git a/source/module_hamilt_pw/hamilt_pwdft/stress_func_gga.cpp b/source/module_hamilt_pw/hamilt_pwdft/stress_func_gga.cpp index 8fd5dcd7e4..72d9d0c78b 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/stress_func_gga.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/stress_func_gga.cpp @@ -1,6 +1,6 @@ #include "stress_func.h" #include "module_hamilt_general/module_xc/xc_functional.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" //calculate the GGA stress correction in PW and LCAO diff --git a/source/module_hamilt_pw/hamilt_pwdft/stress_func_har.cpp b/source/module_hamilt_pw/hamilt_pwdft/stress_func_har.cpp index 44b5ea3b40..1b73277f1a 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/stress_func_har.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/stress_func_har.cpp @@ -1,7 +1,7 @@ #include "stress_func.h" #include "module_elecstate/module_pot/H_Hartree_pw.h" #include "module_parameter/parameter.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" //calculate the Hartree part in PW or LCAO base diff --git a/source/module_hamilt_pw/hamilt_pwdft/stress_func_kin.cpp b/source/module_hamilt_pw/hamilt_pwdft/stress_func_kin.cpp index 0de21d6178..2e6376f434 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/stress_func_kin.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/stress_func_kin.cpp @@ -1,7 +1,7 @@ #include "stress_func.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_parameter/parameter.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_hamilt_pw/hamilt_pwdft/fs_kin_tools.h" //calculate the kinetic stress in PW base diff --git a/source/module_hamilt_pw/hamilt_pwdft/stress_func_loc.cpp b/source/module_hamilt_pw/hamilt_pwdft/stress_func_loc.cpp index a24fe639d1..01f54c2ba1 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/stress_func_loc.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/stress_func_loc.cpp @@ -1,9 +1,9 @@ #include "stress_func.h" -#include "module_base/math_integral.h" +#include "source_base/math_integral.h" #include "module_parameter/parameter.h" -#include "module_base/tool_threading.h" -#include "module_base/timer.h" -#include "module_base/libm/libm.h" +#include "source_base/tool_threading.h" +#include "source_base/timer.h" +#include "source_base/libm/libm.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" //calculate local pseudopotential stress in PW or VL_dVL stress in LCAO diff --git a/source/module_hamilt_pw/hamilt_pwdft/stress_func_mgga.cpp b/source/module_hamilt_pw/hamilt_pwdft/stress_func_mgga.cpp index c528b0f417..b26829007d 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/stress_func_mgga.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/stress_func_mgga.cpp @@ -1,4 +1,4 @@ -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_hamilt_general/module_xc/xc_functional.h" #include "module_parameter/parameter.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/module_hamilt_pw/hamilt_pwdft/stress_func_nl.cpp b/source/module_hamilt_pw/hamilt_pwdft/stress_func_nl.cpp index 41554e37ba..b8b9f8b381 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/stress_func_nl.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/stress_func_nl.cpp @@ -1,9 +1,9 @@ -#include "module_base/math_polyint.h" +#include "source_base/math_polyint.h" #include "module_parameter/parameter.h" -#include "module_base/math_ylmreal.h" -#include "module_base/memory.h" -#include "module_base/module_device/device.h" -#include "module_base/timer.h" +#include "source_base/math_ylmreal.h" +#include "source_base/memory.h" +#include "source_base/module_device/device.h" +#include "source_base/timer.h" #include "module_hamilt_pw/hamilt_pwdft/fs_nonlocal_tools.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_hamilt_pw/hamilt_pwdft/nonlocal_maths.hpp" diff --git a/source/module_hamilt_pw/hamilt_pwdft/stress_func_onsite.cpp b/source/module_hamilt_pw/hamilt_pwdft/stress_func_onsite.cpp index b649d219b8..567939a4d0 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/stress_func_onsite.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/stress_func_onsite.cpp @@ -1,5 +1,5 @@ -#include "module_base/module_device/device.h" -#include "module_base/timer.h" +#include "source_base/module_device/device.h" +#include "source_base/timer.h" #include "module_hamilt_pw/hamilt_pwdft/onsite_projector.h" #include "module_parameter/parameter.h" #include "module_hamilt_lcao/module_dftu/dftu.h" diff --git a/source/module_hamilt_pw/hamilt_pwdft/stress_func_us.cpp b/source/module_hamilt_pw/hamilt_pwdft/stress_func_us.cpp index 3273584050..9c31fb6119 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/stress_func_us.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/stress_func_us.cpp @@ -1,8 +1,8 @@ -#include "module_base/libm/libm.h" +#include "source_base/libm/libm.h" #include "module_parameter/parameter.h" -#include "module_base/math_polyint.h" -#include "module_base/math_ylmreal.h" -#include "module_base/timer.h" +#include "source_base/math_polyint.h" +#include "source_base/math_ylmreal.h" +#include "source_base/timer.h" #include "module_elecstate/elecstate_pw.h" #include "module_hamilt_pw/hamilt_pwdft/nonlocal_maths.hpp" #include "stress_pw.h" diff --git a/source/module_hamilt_pw/hamilt_pwdft/stress_pw.cpp b/source/module_hamilt_pw/hamilt_pwdft/stress_pw.cpp index 98cb66b2dc..6e0c94fb2c 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/stress_pw.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/stress_pw.cpp @@ -1,6 +1,6 @@ #include "stress_pw.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_hamilt_general/module_vdw/vdw.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_io/output_log.h" diff --git a/source/module_hamilt_pw/hamilt_pwdft/structure_factor.cpp b/source/module_hamilt_pw/hamilt_pwdft/structure_factor.cpp index c751b91cab..8ade7343a8 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/structure_factor.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/structure_factor.cpp @@ -1,13 +1,13 @@ -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" #include "module_parameter/parameter.h" #include "structure_factor.h" -#include "module_base/constants.h" +#include "source_base/constants.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" -#include "module_base/math_bspline.h" -#include "module_base/memory.h" -#include "module_base/timer.h" -#include "module_base/libm/libm.h" +#include "source_base/math_bspline.h" +#include "source_base/memory.h" +#include "source_base/timer.h" +#include "source_base/libm/libm.h" #ifdef _OPENMP diff --git a/source/module_hamilt_pw/hamilt_pwdft/structure_factor.h b/source/module_hamilt_pw/hamilt_pwdft/structure_factor.h index 2f3e1931c8..8cb03913e8 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/structure_factor.h +++ b/source/module_hamilt_pw/hamilt_pwdft/structure_factor.h @@ -1,7 +1,7 @@ #ifndef PLANEWAVE_H #define PLANEWAVE_H -#include "module_base/complexmatrix.h" +#include "source_base/complexmatrix.h" #include "module_basis/module_pw/pw_basis_k.h" #include "module_cell/unitcell.h" #include "module_hamilt_pw/hamilt_pwdft/parallel_grid.h" diff --git a/source/module_hamilt_pw/hamilt_pwdft/structure_factor_k.cpp b/source/module_hamilt_pw/hamilt_pwdft/structure_factor_k.cpp index bca92ac1cf..17f0977e44 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/structure_factor_k.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/structure_factor_k.cpp @@ -1,8 +1,8 @@ -#include "module_base/memory.h" -#include "module_base/timer.h" +#include "source_base/memory.h" +#include "source_base/timer.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_hamilt_pw/hamilt_pwdft/kernels/wf_op.h" -#include "module_base/module_device/device.h" +#include "source_base/module_device/device.h" #include "structure_factor.h" std::complex* Structure_Factor::get_sk(const int ik, const int it, diff --git a/source/module_hamilt_pw/hamilt_pwdft/test/CMakeLists.txt b/source/module_hamilt_pw/hamilt_pwdft/test/CMakeLists.txt index 96f47a53f3..a9e185b3ef 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/test/CMakeLists.txt +++ b/source/module_hamilt_pw/hamilt_pwdft/test/CMakeLists.txt @@ -7,19 +7,19 @@ AddTest( TARGET pwdft_soc LIBS parameter ${math_libs} SOURCES soc_test.cpp ../soc.cpp - ../../../module_base/global_variable.cpp - ../../../module_base/global_function.cpp - ../../../module_base/global_file.cpp - ../../../module_base/tool_quit.cpp - ../../../module_base/global_variable.cpp - ../../../module_base/global_file.cpp - ../../../module_base/memory.cpp - ../../../module_base/timer.cpp - ../../../module_base/blas_connector_base.cpp ../../../module_base/blas_connector_vector.cpp ../../../module_base/blas_connector_matrix.cpp - ../../../module_base/parallel_global.cpp - ../../../module_base/parallel_comm.cpp - ../../../module_base/parallel_common.cpp - ../../../module_base/parallel_reduce.cpp + ../../../source_base/global_variable.cpp + ../../../source_base/global_function.cpp + ../../../source_base/global_file.cpp + ../../../source_base/tool_quit.cpp + ../../../source_base/global_variable.cpp + ../../../source_base/global_file.cpp + ../../../source_base/memory.cpp + ../../../source_base/timer.cpp + ../../../source_base/blas_connector_base.cpp ../../../source_base/blas_connector_vector.cpp ../../../source_base/blas_connector_matrix.cpp + ../../../source_base/parallel_global.cpp + ../../../source_base/parallel_comm.cpp + ../../../source_base/parallel_common.cpp + ../../../source_base/parallel_reduce.cpp ) AddTest( diff --git a/source/module_hamilt_pw/hamilt_stodft/hamilt_sdft_pw.cpp b/source/module_hamilt_pw/hamilt_stodft/hamilt_sdft_pw.cpp index 4bf6033477..fac4e7f867 100644 --- a/source/module_hamilt_pw/hamilt_stodft/hamilt_sdft_pw.cpp +++ b/source/module_hamilt_pw/hamilt_stodft/hamilt_sdft_pw.cpp @@ -1,5 +1,5 @@ #include "hamilt_sdft_pw.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "kernels/hpsi_norm_op.h" namespace hamilt diff --git a/source/module_hamilt_pw/hamilt_stodft/kernels/hpsi_norm_op.cpp b/source/module_hamilt_pw/hamilt_stodft/kernels/hpsi_norm_op.cpp index b75da7900c..a2227cf767 100644 --- a/source/module_hamilt_pw/hamilt_stodft/kernels/hpsi_norm_op.cpp +++ b/source/module_hamilt_pw/hamilt_stodft/kernels/hpsi_norm_op.cpp @@ -1,6 +1,6 @@ #include "hpsi_norm_op.h" -#include "module_base/module_device/device.h" +#include "source_base/module_device/device.h" namespace hamilt { template diff --git a/source/module_hamilt_pw/hamilt_stodft/kernels/hpsi_norm_op.h b/source/module_hamilt_pw/hamilt_stodft/kernels/hpsi_norm_op.h index b422916ae8..1d6bff3eb6 100644 --- a/source/module_hamilt_pw/hamilt_stodft/kernels/hpsi_norm_op.h +++ b/source/module_hamilt_pw/hamilt_stodft/kernels/hpsi_norm_op.h @@ -1,7 +1,7 @@ #ifndef HPSI_NORM_OP_H #define HPSI_NORM_OP_H #include -#include "module_base/module_device/device.h" +#include "source_base/module_device/device.h" namespace hamilt { template diff --git a/source/module_hamilt_pw/hamilt_stodft/sto_che.cpp b/source/module_hamilt_pw/hamilt_stodft/sto_che.cpp index 9facef1ddf..06a591c2ca 100644 --- a/source/module_hamilt_pw/hamilt_stodft/sto_che.cpp +++ b/source/module_hamilt_pw/hamilt_stodft/sto_che.cpp @@ -1,8 +1,8 @@ #include "sto_che.h" -#include "module_base/blas_connector.h" -#include "module_base/module_device/device.h" -#include "module_base/kernels/math_kernel_op.h" -#include "module_base/module_container/ATen/kernels/blas.h" +#include "source_base/blas_connector.h" +#include "source_base/module_device/device.h" +#include "source_base/kernels/math_kernel_op.h" +#include "source_base/module_container/ATen/kernels/blas.h" template StoChe::~StoChe() diff --git a/source/module_hamilt_pw/hamilt_stodft/sto_che.h b/source/module_hamilt_pw/hamilt_stodft/sto_che.h index e57dfb5e78..aef324a9fd 100644 --- a/source/module_hamilt_pw/hamilt_stodft/sto_che.h +++ b/source/module_hamilt_pw/hamilt_stodft/sto_che.h @@ -1,8 +1,8 @@ #ifndef STO_CHE_H #define STO_CHE_H -#include "module_base/math_chebyshev.h" -#include "module_base/kernels/math_kernel_op.h" -#include "module_base/module_container/ATen/kernels/blas.h" +#include "source_base/math_chebyshev.h" +#include "source_base/kernels/math_kernel_op.h" +#include "source_base/module_container/ATen/kernels/blas.h" template class StoChe diff --git a/source/module_hamilt_pw/hamilt_stodft/sto_dos.cpp b/source/module_hamilt_pw/hamilt_stodft/sto_dos.cpp index 55aee269fc..561cea20ec 100644 --- a/source/module_hamilt_pw/hamilt_stodft/sto_dos.cpp +++ b/source/module_hamilt_pw/hamilt_stodft/sto_dos.cpp @@ -1,7 +1,7 @@ #include "sto_dos.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include "module_parameter/parameter.h" #include "sto_tool.h" template diff --git a/source/module_hamilt_pw/hamilt_stodft/sto_elecond.cpp b/source/module_hamilt_pw/hamilt_stodft/sto_elecond.cpp index 77c6b97685..2a4e0dff4e 100644 --- a/source/module_hamilt_pw/hamilt_stodft/sto_elecond.cpp +++ b/source/module_hamilt_pw/hamilt_stodft/sto_elecond.cpp @@ -1,12 +1,12 @@ #include "sto_elecond.h" -#include "module_base/complexmatrix.h" -#include "module_base/constants.h" -#include "module_base/memory.h" -#include "module_base/module_container/ATen/tensor.h" -#include "module_base/parallel_device.h" -#include "module_base/timer.h" -#include "module_base/vector3.h" +#include "source_base/complexmatrix.h" +#include "source_base/constants.h" +#include "source_base/memory.h" +#include "source_base/module_container/ATen/tensor.h" +#include "source_base/parallel_device.h" +#include "source_base/timer.h" +#include "source_base/vector3.h" #include "module_parameter/parameter.h" #include "sto_tool.h" diff --git a/source/module_hamilt_pw/hamilt_stodft/sto_forces.cpp b/source/module_hamilt_pw/hamilt_stodft/sto_forces.cpp index cf127b029d..e3eabe5c8d 100644 --- a/source/module_hamilt_pw/hamilt_stodft/sto_forces.cpp +++ b/source/module_hamilt_pw/hamilt_stodft/sto_forces.cpp @@ -1,6 +1,6 @@ #include "sto_forces.h" -#include "module_base/mathzone.h" +#include "source_base/mathzone.h" #include "module_cell/module_symmetry/symmetry.h" #include "module_elecstate/elecstate.h" #include "module_elecstate/module_pot/efield.h" @@ -11,9 +11,9 @@ #include "module_hamilt_pw/hamilt_pwdft/fs_nonlocal_tools.h" // new -#include "module_base/math_integral.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" +#include "source_base/math_integral.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" #include "module_hamilt_general/module_xc/xc_functional.h" template diff --git a/source/module_hamilt_pw/hamilt_stodft/sto_iter.cpp b/source/module_hamilt_pw/hamilt_stodft/sto_iter.cpp index 47519d787f..dc77a83a45 100644 --- a/source/module_hamilt_pw/hamilt_stodft/sto_iter.cpp +++ b/source/module_hamilt_pw/hamilt_stodft/sto_iter.cpp @@ -1,11 +1,11 @@ #include "sto_iter.h" -#include "module_base/kernels/math_kernel_op.h" -#include "module_base/para_gemm.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" -#include "module_base/tool_quit.h" -#include "module_base/tool_title.h" +#include "source_base/kernels/math_kernel_op.h" +#include "source_base/para_gemm.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" +#include "source_base/tool_quit.h" +#include "source_base/tool_title.h" #include "module_elecstate/kernels/elecstate_op.h" #include "module_elecstate/occupy.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/module_hamilt_pw/hamilt_stodft/sto_iter.h b/source/module_hamilt_pw/hamilt_stodft/sto_iter.h index 9953cfcd3b..4f2f389073 100644 --- a/source/module_hamilt_pw/hamilt_stodft/sto_iter.h +++ b/source/module_hamilt_pw/hamilt_stodft/sto_iter.h @@ -1,6 +1,6 @@ #ifndef STO_ITER_H #define STO_ITER_H -#include "module_base/math_chebyshev.h" +#include "source_base/math_chebyshev.h" #include "module_elecstate/elecstate_pw.h" #include "module_hamilt_general/hamilt.h" #include "module_hamilt_pw/hamilt_stodft/hamilt_sdft_pw.h" diff --git a/source/module_hamilt_pw/hamilt_stodft/sto_stress_pw.cpp b/source/module_hamilt_pw/hamilt_stodft/sto_stress_pw.cpp index 033a94159d..414284f215 100644 --- a/source/module_hamilt_pw/hamilt_stodft/sto_stress_pw.cpp +++ b/source/module_hamilt_pw/hamilt_stodft/sto_stress_pw.cpp @@ -1,6 +1,6 @@ #include "sto_stress_pw.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_hamilt_pw/hamilt_pwdft/fs_kin_tools.h" #include "module_hamilt_pw/hamilt_pwdft/fs_nonlocal_tools.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/module_hamilt_pw/hamilt_stodft/sto_tool.cpp b/source/module_hamilt_pw/hamilt_stodft/sto_tool.cpp index 2f99ef0e81..f3d9461462 100644 --- a/source/module_hamilt_pw/hamilt_stodft/sto_tool.cpp +++ b/source/module_hamilt_pw/hamilt_stodft/sto_tool.cpp @@ -1,8 +1,8 @@ #include "sto_tool.h" -#include "module_base/math_chebyshev.h" -#include "module_base/parallel_device.h" -#include "module_base/timer.h" +#include "source_base/math_chebyshev.h" +#include "source_base/parallel_device.h" +#include "source_base/timer.h" #include "module_parameter/parameter.h" #ifdef __MPI #include "mpi.h" diff --git a/source/module_hamilt_pw/hamilt_stodft/sto_tool.h b/source/module_hamilt_pw/hamilt_stodft/sto_tool.h index 0e9fe1d41d..a6ee245420 100644 --- a/source/module_hamilt_pw/hamilt_stodft/sto_tool.h +++ b/source/module_hamilt_pw/hamilt_stodft/sto_tool.h @@ -3,7 +3,7 @@ #include "module_cell/klist.h" #include "module_hamilt_pw/hamilt_stodft/hamilt_sdft_pw.h" #include "module_hamilt_pw/hamilt_stodft/sto_wf.h" -#include "module_base/module_device/memory_op.h" +#include "source_base/module_device/memory_op.h" #include "module_psi/psi.h" /** diff --git a/source/module_hamilt_pw/hamilt_stodft/sto_wf.cpp b/source/module_hamilt_pw/hamilt_stodft/sto_wf.cpp index b00564f1ef..22ab947752 100644 --- a/source/module_hamilt_pw/hamilt_stodft/sto_wf.cpp +++ b/source/module_hamilt_pw/hamilt_stodft/sto_wf.cpp @@ -1,13 +1,13 @@ #include "sto_wf.h" -#include "module_base/memory.h" +#include "source_base/memory.h" #include "module_parameter/parameter.h" #include #include //---------Temporary------------------------------------ -#include "module_base/global_function.h" +#include "source_base/global_function.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" //------------------------------------------------------ diff --git a/source/module_io/berryphase.cpp b/source/module_io/berryphase.cpp index 9efda5a09e..aef84a3247 100644 --- a/source/module_io/berryphase.cpp +++ b/source/module_io/berryphase.cpp @@ -215,7 +215,7 @@ void berryphase::set_kpoints(const K_Vectors& kv, const int direction) } } -#include "../module_base/complexmatrix.h" +#include "../source_base/complexmatrix.h" double berryphase::stringPhase(const UnitCell& ucell, int index_str, int nbands, diff --git a/source/module_io/bessel_basis.cpp b/source/module_io/bessel_basis.cpp index 07a3619302..57fa1b1c82 100644 --- a/source/module_io/bessel_basis.cpp +++ b/source/module_io/bessel_basis.cpp @@ -1,10 +1,10 @@ #include "bessel_basis.h" #include "module_parameter/parameter.h" -#include "module_base/math_integral.h" -#include "module_base/math_sphbes.h" -#include "module_base/parallel_common.h" -#include "module_base/timer.h" +#include "source_base/math_integral.h" +#include "source_base/math_sphbes.h" +#include "source_base/parallel_common.h" +#include "source_base/timer.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include diff --git a/source/module_io/bessel_basis.h b/source/module_io/bessel_basis.h index cf4c609b6e..fe0dc2c14b 100644 --- a/source/module_io/bessel_basis.h +++ b/source/module_io/bessel_basis.h @@ -5,9 +5,9 @@ //========================================================== #ifndef BESSEL_BASIS_H #define BESSEL_BASIS_H -#include "../module_base/global_function.h" -#include "../module_base/global_variable.h" -#include "../module_base/realarray.h" +#include "../source_base/global_function.h" +#include "../source_base/global_variable.h" +#include "../source_base/realarray.h" #include "../module_cell/unitcell.h" diff --git a/source/module_io/cal_dos.cpp b/source/module_io/cal_dos.cpp index e9cf1b64cc..8b252d13f6 100644 --- a/source/module_io/cal_dos.cpp +++ b/source/module_io/cal_dos.cpp @@ -1,9 +1,9 @@ #include "cal_dos.h" -#include "module_base/constants.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/parallel_reduce.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/parallel_reduce.h" #include "module_parameter/parameter.h" void ModuleIO::prepare_dos(std::ofstream& ofs_running, diff --git a/source/module_io/cal_dos.h b/source/module_io/cal_dos.h index 2f6c94f4de..83327acf93 100644 --- a/source/module_io/cal_dos.h +++ b/source/module_io/cal_dos.h @@ -2,7 +2,7 @@ #define DOS_H #include -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "module_elecstate/fp_energy.h" namespace ModuleIO diff --git a/source/module_io/cal_mlkedf_descriptors.h b/source/module_io/cal_mlkedf_descriptors.h index 97bec5e310..b65892b33d 100644 --- a/source/module_io/cal_mlkedf_descriptors.h +++ b/source/module_io/cal_mlkedf_descriptors.h @@ -2,7 +2,7 @@ #define CAL_MLKEDF_DESCRIPTORS_H #include -#include "module_base/global_function.h" +#include "source_base/global_function.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_parameter/parameter.h" diff --git a/source/module_io/cal_pLpR.cpp b/source/module_io/cal_pLpR.cpp index 095e6f48a7..b0033bee15 100644 --- a/source/module_io/cal_pLpR.cpp +++ b/source/module_io/cal_pLpR.cpp @@ -6,14 +6,14 @@ #include #include #include "module_cell/unitcell.h" -#include "module_base/spherical_bessel_transformer.h" +#include "source_base/spherical_bessel_transformer.h" #include "module_basis/module_nao/two_center_integrator.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" #include "module_cell/module_neighbor/sltk_atom_arrange.h" #include "module_parameter/parameter.h" #include "module_io/cal_pLpR.h" -#include "module_base/formatter.h" -#include "module_base/parallel_common.h" +#include "source_base/formatter.h" +#include "source_base/parallel_common.h" /** * * FIXME: the following part will be transfered to TwoCenterIntegrator soon diff --git a/source/module_io/cal_pdos_gamma.cpp b/source/module_io/cal_pdos_gamma.cpp index 2a12c7f42a..0ef2defdc0 100644 --- a/source/module_io/cal_pdos_gamma.cpp +++ b/source/module_io/cal_pdos_gamma.cpp @@ -1,11 +1,11 @@ #include "cal_pdos_gamma.h" -#include "module_base/parallel_reduce.h" -#include "module_base/blas_connector.h" -#include "module_base/scalapack_connector.h" +#include "source_base/parallel_reduce.h" +#include "source_base/blas_connector.h" +#include "source_base/scalapack_connector.h" #include "write_orb_info.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_hamilt_lcao/hamilt_lcaodft/hamilt_lcao.h" diff --git a/source/module_io/cal_pdos_gamma.h b/source/module_io/cal_pdos_gamma.h index 039f131614..46f19c2c71 100644 --- a/source/module_io/cal_pdos_gamma.h +++ b/source/module_io/cal_pdos_gamma.h @@ -1,7 +1,7 @@ #ifndef CAL_PDOS_GAMMA_H #define CAL_PDOS_GAMMA_H -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "module_cell/klist.h" // use K_Vectors #include "module_psi/psi.h" // use psi::Psi #include "module_hamilt_general/hamilt.h" // use hamilt::Hamilt diff --git a/source/module_io/cal_pdos_multik.cpp b/source/module_io/cal_pdos_multik.cpp index 81bcae899a..d37d187dab 100644 --- a/source/module_io/cal_pdos_multik.cpp +++ b/source/module_io/cal_pdos_multik.cpp @@ -1,11 +1,11 @@ #include "cal_pdos_multik.h" -#include "module_base/parallel_reduce.h" -#include "module_base/blas_connector.h" -#include "module_base/scalapack_connector.h" +#include "source_base/parallel_reduce.h" +#include "source_base/blas_connector.h" +#include "source_base/scalapack_connector.h" #include "write_orb_info.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_hamilt_lcao/hamilt_lcaodft/hamilt_lcao.h" diff --git a/source/module_io/cal_pdos_multik.h b/source/module_io/cal_pdos_multik.h index d650efbb59..045569f9d3 100644 --- a/source/module_io/cal_pdos_multik.h +++ b/source/module_io/cal_pdos_multik.h @@ -1,7 +1,7 @@ #ifndef CAL_PDOS_MULTIK_H #define CAL_PDOS_MULTIK_H -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "module_cell/klist.h" // use K_Vectors #include "module_psi/psi.h" // use psi::Psi #include "module_hamilt_general/hamilt.h" // use hamilt::Hamilt diff --git a/source/module_io/cal_r_overlap_R.cpp b/source/module_io/cal_r_overlap_R.cpp index d2eea5e5a2..a1f4e65530 100644 --- a/source/module_io/cal_r_overlap_R.cpp +++ b/source/module_io/cal_r_overlap_R.cpp @@ -1,8 +1,8 @@ #include "cal_r_overlap_R.h" #include "module_parameter/parameter.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/module_io/cal_r_overlap_R.h b/source/module_io/cal_r_overlap_R.h index a40ec30ed2..fb7944efeb 100644 --- a/source/module_io/cal_r_overlap_R.h +++ b/source/module_io/cal_r_overlap_R.h @@ -1,10 +1,10 @@ #ifndef CAL_R_OVERLAP_R_H #define CAL_R_OVERLAP_R_H -#include "module_base/abfs-vector3_order.h" -#include "module_base/sph_bessel_recursive.h" -#include "module_base/vector3.h" -#include "module_base/ylm.h" +#include "source_base/abfs-vector3_order.h" +#include "source_base/sph_bessel_recursive.h" +#include "source_base/vector3.h" +#include "source_base/ylm.h" #include "module_basis/module_ao/ORB_atomic_lm.h" #include "module_basis/module_ao/ORB_gaunt_table.h" #include "module_basis/module_ao/ORB_read.h" diff --git a/source/module_io/cal_test.cpp b/source/module_io/cal_test.cpp index b41c38a2ba..f43f8731e8 100644 --- a/source/module_io/cal_test.cpp +++ b/source/module_io/cal_test.cpp @@ -1,10 +1,10 @@ #include "module_hamilt_pw/hamilt_pwdft/global.h" -#include "module_base/global_function.h" +#include "source_base/global_function.h" #define private public #include "module_parameter/parameter.h" #undef private -#include "module_base/global_variable.h" -#include "module_base/memory.h" +#include "source_base/global_variable.h" +#include "source_base/memory.h" #include "cal_test.h" double Cal_Test::mporter=0.0; diff --git a/source/module_io/cif_io.cpp b/source/module_io/cif_io.cpp index 3f3e67a34a..8b69a04ac3 100644 --- a/source/module_io/cif_io.cpp +++ b/source/module_io/cif_io.cpp @@ -2,13 +2,13 @@ #include #include #include -#include "module_base/formatter.h" +#include "source_base/formatter.h" #include "module_io/cif_io.h" #include #include -#include "module_base/tool_quit.h" +#include "source_base/tool_quit.h" #ifdef __MPI -#include "module_base/parallel_common.h" +#include "source_base/parallel_common.h" #endif double deg2rad(double deg) { return deg * M_PI / 180.0; } diff --git a/source/module_io/csr_reader.cpp b/source/module_io/csr_reader.cpp index 9c5ce359c1..160cb78a61 100644 --- a/source/module_io/csr_reader.cpp +++ b/source/module_io/csr_reader.cpp @@ -1,6 +1,6 @@ #include "csr_reader.h" -#include "module_base/tool_quit.h" +#include "source_base/tool_quit.h" namespace ModuleIO { diff --git a/source/module_io/fR_overlap.cpp b/source/module_io/fR_overlap.cpp index 8f54ba8d97..f4049d9090 100644 --- a/source/module_io/fR_overlap.cpp +++ b/source/module_io/fR_overlap.cpp @@ -1,10 +1,10 @@ #ifdef __LCAO #include "fR_overlap.h" #include "module_basis/module_ao/ORB_read.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" -#include "module_base/math_integral.h" -#include "module_base/blas_connector.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" +#include "source_base/math_integral.h" +#include "source_base/blas_connector.h" template FR_overlap::FR_overlap() diff --git a/source/module_io/fR_overlap.h b/source/module_io/fR_overlap.h index c89d2a4bb0..bcd82789e4 100644 --- a/source/module_io/fR_overlap.h +++ b/source/module_io/fR_overlap.h @@ -7,7 +7,7 @@ #include "module_cell/module_neighbor/sltk_grid_driver.h" #include "module_cell/unitcell.h" #include "module_hamilt_lcao/module_hcontainer/hcontainer.h" -#include "module_base/math_lebedev_laikov.h" +#include "source_base/math_lebedev_laikov.h" template diff --git a/source/module_io/file_reader.cpp b/source/module_io/file_reader.cpp index fd7a1e18b5..5f24150518 100644 --- a/source/module_io/file_reader.cpp +++ b/source/module_io/file_reader.cpp @@ -1,6 +1,6 @@ #include "file_reader.h" -#include "module_base/tool_quit.h" +#include "source_base/tool_quit.h" namespace ModuleIO { diff --git a/source/module_io/filename.cpp b/source/module_io/filename.cpp index 8c3d86fa9d..39c5da6315 100644 --- a/source/module_io/filename.cpp +++ b/source/module_io/filename.cpp @@ -1,6 +1,6 @@ #include #include "filename.h" -#include "module_base/tool_quit.h" +#include "source_base/tool_quit.h" namespace ModuleIO { diff --git a/source/module_io/get_pchg_lcao.cpp b/source/module_io/get_pchg_lcao.cpp index 6768ef7300..721f9ea199 100644 --- a/source/module_io/get_pchg_lcao.cpp +++ b/source/module_io/get_pchg_lcao.cpp @@ -1,10 +1,10 @@ #include "get_pchg_lcao.h" -#include "module_base/blas_connector.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/parallel_common.h" -#include "module_base/scalapack_connector.h" +#include "source_base/blas_connector.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/parallel_common.h" +#include "source_base/scalapack_connector.h" #include "module_elecstate/module_charge/symmetry_rho.h" #include "module_elecstate/module_dm/cal_dm_psi.h" #include "module_elecstate/module_dm/density_matrix.h" diff --git a/source/module_io/get_pchg_lcao.h b/source/module_io/get_pchg_lcao.h index 99b4a38d7a..3ff6ad5a62 100644 --- a/source/module_io/get_pchg_lcao.h +++ b/source/module_io/get_pchg_lcao.h @@ -9,8 +9,8 @@ #include "module_hamilt_pw/hamilt_pwdft/parallel_grid.h" #include "module_psi/psi.h" -#include -#include +#include +#include #include #include diff --git a/source/module_io/get_pchg_pw.h b/source/module_io/get_pchg_pw.h index d0bb6caa9e..1e550962dc 100644 --- a/source/module_io/get_pchg_pw.h +++ b/source/module_io/get_pchg_pw.h @@ -2,8 +2,8 @@ #define GET_PCHG_PW_H #include "cube_io.h" -#include "module_base/module_device/device.h" -#include "module_base/tool_quit.h" +#include "source_base/module_device/device.h" +#include "source_base/tool_quit.h" #include "module_basis/module_pw/pw_basis.h" #include "module_basis/module_pw/pw_basis_k.h" #include "module_cell/unitcell.h" diff --git a/source/module_io/get_wf_lcao.cpp b/source/module_io/get_wf_lcao.cpp index 5403d7c019..52a02bbd60 100644 --- a/source/module_io/get_wf_lcao.cpp +++ b/source/module_io/get_wf_lcao.cpp @@ -1,9 +1,9 @@ #include "get_wf_lcao.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/memory.h" -#include "module_base/timer.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/memory.h" +#include "source_base/timer.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_io/cube_io.h" #include "module_io/write_wfc_pw.h" diff --git a/source/module_io/get_wf_pw.h b/source/module_io/get_wf_pw.h index edeb78fccf..c463b9874a 100644 --- a/source/module_io/get_wf_pw.h +++ b/source/module_io/get_wf_pw.h @@ -2,8 +2,8 @@ #define GET_WF_PW_H #include "cube_io.h" -#include "module_base/module_device/device.h" -#include "module_base/tool_quit.h" +#include "source_base/module_device/device.h" +#include "source_base/tool_quit.h" #include "module_basis/module_pw/pw_basis.h" #include "module_basis/module_pw/pw_basis_k.h" #include "module_cell/unitcell.h" diff --git a/source/module_io/input_conv.cpp b/source/module_io/input_conv.cpp index 32c4b30885..b03bc713c0 100644 --- a/source/module_io/input_conv.cpp +++ b/source/module_io/input_conv.cpp @@ -1,7 +1,7 @@ #include "module_io/input_conv.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" #include "module_cell/module_symmetry/symmetry.h" #include "module_cell/unitcell.h" #include "module_elecstate/occupy.h" @@ -34,8 +34,8 @@ #include "source_hsolver/diago_elpa_native.h" #endif -#include "module_base/module_device/device.h" -#include "module_base/timer.h" +#include "source_base/module_device/device.h" +#include "source_base/timer.h" #include "module_elecstate/elecstate_lcao.h" #include "module_elecstate/module_pot/efield.h" #include "module_elecstate/module_pot/gatefield.h" diff --git a/source/module_io/input_conv.h b/source/module_io/input_conv.h index bbb51df101..d60cc59780 100644 --- a/source/module_io/input_conv.h +++ b/source/module_io/input_conv.h @@ -5,8 +5,8 @@ #ifndef INPUT_CONVERT_H #define INPUT_CONVERT_H -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" #include #include diff --git a/source/module_io/io_dmk.cpp b/source/module_io/io_dmk.cpp index 69bbd7a4b3..a52971e1a2 100644 --- a/source/module_io/io_dmk.cpp +++ b/source/module_io/io_dmk.cpp @@ -1,8 +1,8 @@ #include "module_io/io_dmk.h" -#include "module_base/parallel_common.h" -#include "module_base/scalapack_connector.h" -#include "module_base/timer.h" +#include "source_base/parallel_common.h" +#include "source_base/scalapack_connector.h" +#include "source_base/timer.h" #include "module_parameter/parameter.h" /* diff --git a/source/module_io/io_dmk.h b/source/module_io/io_dmk.h index df24e9c587..0e7d08df74 100644 --- a/source/module_io/io_dmk.h +++ b/source/module_io/io_dmk.h @@ -1,7 +1,7 @@ #ifndef DM_IO_H #define DM_IO_H -#include "module_base/parallel_2d.h" +#include "source_base/parallel_2d.h" #include "module_cell/unitcell.h" #include diff --git a/source/module_io/io_npz.cpp b/source/module_io/io_npz.cpp index 0732445554..3d3f80dff4 100644 --- a/source/module_io/io_npz.cpp +++ b/source/module_io/io_npz.cpp @@ -2,7 +2,7 @@ #include "io_npz.h" -#include "module_base/element_name.h" +#include "source_base/element_name.h" #include "module_parameter/parameter.h" #ifdef __MPI diff --git a/source/module_io/json_output/general_info.cpp b/source/module_io/json_output/general_info.cpp index c6285d9000..c57a9c5746 100644 --- a/source/module_io/json_output/general_info.cpp +++ b/source/module_io/json_output/general_info.cpp @@ -2,7 +2,7 @@ #include "../para_json.h" #include "abacusjson.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "source_main/version.h" // Add json objects to gener_info diff --git a/source/module_io/json_output/output_info.h b/source/module_io/json_output/output_info.h index 0be4254922..149713faf3 100644 --- a/source/module_io/json_output/output_info.h +++ b/source/module_io/json_output/output_info.h @@ -4,7 +4,7 @@ #include "module_cell/module_symmetry/symmetry.h" #include "module_cell/atom_spec.h" #include "module_cell/unitcell.h" -#include "module_base/matrix.h" +#include "source_base/matrix.h" /** diff --git a/source/module_io/nscf_band.cpp b/source/module_io/nscf_band.cpp index e824b4ce84..d45e067d3e 100644 --- a/source/module_io/nscf_band.cpp +++ b/source/module_io/nscf_band.cpp @@ -1,9 +1,9 @@ #include "nscf_band.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" -#include "module_base/formatter.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" +#include "source_base/formatter.h" #ifdef __MPI #include diff --git a/source/module_io/nscf_band.h b/source/module_io/nscf_band.h index d12b063f08..dba25f0288 100644 --- a/source/module_io/nscf_band.h +++ b/source/module_io/nscf_band.h @@ -1,6 +1,6 @@ #ifndef NSCF_BAND_H #define NSCF_BAND_H -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "module_cell/klist.h" #include "module_cell/parallel_kpoints.h" diff --git a/source/module_io/nscf_fermi_surf.cpp b/source/module_io/nscf_fermi_surf.cpp index ab7be76d8d..7c8b0ad337 100644 --- a/source/module_io/nscf_fermi_surf.cpp +++ b/source/module_io/nscf_fermi_surf.cpp @@ -1,8 +1,8 @@ #include "nscf_fermi_surf.h" -#include "module_base/global_function.h" +#include "source_base/global_function.h" #include "module_parameter/parameter.h" -#include "module_base/global_variable.h" -#include "module_base/timer.h" +#include "source_base/global_variable.h" +#include "source_base/timer.h" #ifdef __MPI #include diff --git a/source/module_io/nscf_fermi_surf.h b/source/module_io/nscf_fermi_surf.h index 6dd879fa29..c7153f2064 100644 --- a/source/module_io/nscf_fermi_surf.h +++ b/source/module_io/nscf_fermi_surf.h @@ -1,7 +1,7 @@ #ifndef NSCF_FERMI_SURF_H #define NSCF_FERMI_SURF_H -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "module_cell/klist.h" #include "module_cell/unitcell.h" #include "module_cell/parallel_kpoints.h" diff --git a/source/module_io/numerical_basis.cpp b/source/module_io/numerical_basis.cpp index 4eaff85250..19f1830a0a 100644 --- a/source/module_io/numerical_basis.cpp +++ b/source/module_io/numerical_basis.cpp @@ -1,13 +1,13 @@ #include "numerical_basis.h" #include "module_parameter/parameter.h" -#include "module_base/constants.h" -#include "module_base/global_variable.h" -#include "module_base/intarray.h" -#include "module_base/math_ylmreal.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" -#include "module_base/vector3.h" +#include "source_base/constants.h" +#include "source_base/global_variable.h" +#include "source_base/intarray.h" +#include "source_base/math_ylmreal.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" +#include "source_base/vector3.h" #include "module_cell/module_symmetry/symmetry.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_io/numerical_basis_jyjy.h" diff --git a/source/module_io/numerical_basis.h b/source/module_io/numerical_basis.h index 20547e6f41..eb24270942 100644 --- a/source/module_io/numerical_basis.h +++ b/source/module_io/numerical_basis.h @@ -8,13 +8,13 @@ #include #include "bessel_basis.h" -#include "module_base/complexarray.h" -#include "module_base/complexmatrix.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/intarray.h" -#include "module_base/matrix.h" -#include "module_base/vector3.h" +#include "source_base/complexarray.h" +#include "source_base/complexmatrix.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/intarray.h" +#include "source_base/matrix.h" +#include "source_base/vector3.h" #include "module_basis/module_pw/pw_basis_k.h" #include "module_cell/klist.h" #include "module_hamilt_pw/hamilt_pwdft/structure_factor.h" diff --git a/source/module_io/numerical_basis_jyjy.cpp b/source/module_io/numerical_basis_jyjy.cpp index 8f504a9fab..9eda45bbd9 100644 --- a/source/module_io/numerical_basis_jyjy.cpp +++ b/source/module_io/numerical_basis_jyjy.cpp @@ -1,7 +1,7 @@ #include "module_io/numerical_basis_jyjy.h" -#include "module_base/matrix3.h" -#include "module_base/vector3.h" +#include "source_base/matrix3.h" +#include "source_base/vector3.h" #include "module_basis/module_nao/two_center_integrator.h" namespace NumericalBasis diff --git a/source/module_io/numerical_basis_jyjy.h b/source/module_io/numerical_basis_jyjy.h index f29deba5f4..84296c57af 100644 --- a/source/module_io/numerical_basis_jyjy.h +++ b/source/module_io/numerical_basis_jyjy.h @@ -1,9 +1,9 @@ #ifndef NUMERICAL_BASIS_JYJY_H #define NUMERICAL_BASIS_JYJY_H -#include "module_base/complexarray.h" -#include "module_base/matrix3.h" -#include "module_base/vector3.h" +#include "source_base/complexarray.h" +#include "source_base/matrix3.h" +#include "source_base/vector3.h" #include #include diff --git a/source/module_io/numerical_descriptor.cpp b/source/module_io/numerical_descriptor.cpp index 16236c63ea..899bcb967d 100644 --- a/source/module_io/numerical_descriptor.cpp +++ b/source/module_io/numerical_descriptor.cpp @@ -3,10 +3,10 @@ #include "module_parameter/parameter.h" #include "module_cell/module_symmetry/symmetry.h" #include "winput.h" -#include "module_base/math_ylmreal.h" -#include "module_base/lapack_connector.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" +#include "source_base/math_ylmreal.h" +#include "source_base/lapack_connector.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" Numerical_Descriptor::Numerical_Descriptor() { diff --git a/source/module_io/numerical_descriptor.h b/source/module_io/numerical_descriptor.h index 796d14706e..57c77b7f31 100644 --- a/source/module_io/numerical_descriptor.h +++ b/source/module_io/numerical_descriptor.h @@ -4,10 +4,10 @@ //========================================================== #ifndef NUMERICAL_DESCRIPTOR_H #define NUMERICAL_DESCRIPTOR_H -#include "../module_base/global_function.h" -#include "../module_base/global_variable.h" -#include "../module_base/intarray.h" -#include "../module_base/complexmatrix.h" +#include "../source_base/global_function.h" +#include "../source_base/global_variable.h" +#include "../source_base/intarray.h" +#include "../source_base/complexmatrix.h" #include "bessel_basis.h" #include "module_psi/psi.h" //========================================================== diff --git a/source/module_io/orb_io.cpp b/source/module_io/orb_io.cpp index bb039a84d7..14f58db5d1 100644 --- a/source/module_io/orb_io.cpp +++ b/source/module_io/orb_io.cpp @@ -1,7 +1,7 @@ #include "module_io/orb_io.h" -#include "module_base/tool_quit.h" +#include "source_base/tool_quit.h" #ifdef __MPI -#include "module_base/parallel_common.h" +#include "source_base/parallel_common.h" #endif void ModuleIO::read_abacus_orb(std::ifstream& ifs, diff --git a/source/module_io/output.h b/source/module_io/output.h index 55f8dfb7e7..909abc6e94 100644 --- a/source/module_io/output.h +++ b/source/module_io/output.h @@ -5,10 +5,10 @@ #ifndef OUTPUT_H #define OUTPUT_H -#include "../module_base/realarray.h" -#include "../module_base/matrix3.h" -#include "../module_base/complexmatrix.h" -#include "../module_base/matrix.h" +#include "../source_base/realarray.h" +#include "../source_base/matrix3.h" +#include "../source_base/complexmatrix.h" +#include "../source_base/matrix.h" class output { public: diff --git a/source/module_io/output_log.cpp b/source/module_io/output_log.cpp index dd79f5bd6a..accdd1dc4a 100644 --- a/source/module_io/output_log.cpp +++ b/source/module_io/output_log.cpp @@ -1,11 +1,11 @@ #include "output_log.h" #include "module_parameter/parameter.h" -#include "module_base/constants.h" -#include "module_base/formatter.h" -#include "module_base/global_variable.h" +#include "source_base/constants.h" +#include "source_base/formatter.h" +#include "source_base/global_variable.h" -#include "module_base/parallel_comm.h" +#include "source_base/parallel_comm.h" #ifdef __MPI #include diff --git a/source/module_io/output_log.h b/source/module_io/output_log.h index 5610864863..836181e3df 100644 --- a/source/module_io/output_log.h +++ b/source/module_io/output_log.h @@ -3,8 +3,8 @@ #include -#include "module_base/global_variable.h" -#include "module_base/matrix.h" +#include "source_base/global_variable.h" +#include "source_base/matrix.h" #include "module_cell/unitcell.h" namespace ModuleIO diff --git a/source/module_io/output_mulliken.cpp b/source/module_io/output_mulliken.cpp index 8a31995b40..59d5d226a8 100644 --- a/source/module_io/output_mulliken.cpp +++ b/source/module_io/output_mulliken.cpp @@ -1,10 +1,10 @@ #include "module_io/output_mulliken.h" #include "module_parameter/parameter.h" -#include "module_base/formatter.h" -#include "module_base/name_angular.h" -#include "module_base/scalapack_connector.h" -#include "module_base/tool_quit.h" +#include "source_base/formatter.h" +#include "source_base/name_angular.h" +#include "source_base/scalapack_connector.h" +#include "source_base/tool_quit.h" #include diff --git a/source/module_io/output_mulliken.h b/source/module_io/output_mulliken.h index 42cbf38927..668eb3947d 100644 --- a/source/module_io/output_mulliken.h +++ b/source/module_io/output_mulliken.h @@ -1,13 +1,13 @@ #ifndef OUTPUT_MULLIKEN_H #define OUTPUT_MULLIKEN_H -#include "module_base/complexmatrix.h" -#include "module_base/matrix.h" +#include "source_base/complexmatrix.h" +#include "source_base/matrix.h" #include "module_basis/module_ao/parallel_orbitals.h" #include "module_cell/cell_index.h" #include "module_elecstate/elecstate_lcao.h" #include "module_io/output_dmk.h" #include "module_io/output_sk.h" -#include "module_base/formatter.h" +#include "source_base/formatter.h" #include "module_hamilt_lcao/hamilt_lcaodft/operator_lcao/dspin_lcao.h" #include diff --git a/source/module_io/output_sk.cpp b/source/module_io/output_sk.cpp index c3f2359d19..4d6dc0eab1 100644 --- a/source/module_io/output_sk.cpp +++ b/source/module_io/output_sk.cpp @@ -1,6 +1,6 @@ #include "output_sk.h" -#include "module_base/tool_quit.h" +#include "source_base/tool_quit.h" namespace ModuleIO { diff --git a/source/module_io/para_json.cpp b/source/module_io/para_json.cpp index 8f0fdedf86..526567429e 100644 --- a/source/module_io/para_json.cpp +++ b/source/module_io/para_json.cpp @@ -1,7 +1,7 @@ #include "para_json.h" -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" #include #include diff --git a/source/module_io/print_info.cpp b/source/module_io/print_info.cpp index bed4863c89..b93c6ea190 100644 --- a/source/module_io/print_info.cpp +++ b/source/module_io/print_info.cpp @@ -1,6 +1,6 @@ #include "print_info.h" -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" #include "module_parameter/parameter.h" diff --git a/source/module_io/print_info.h b/source/module_io/print_info.h index a7bcb2a0cf..4bdb6effdc 100644 --- a/source/module_io/print_info.h +++ b/source/module_io/print_info.h @@ -5,7 +5,7 @@ #ifndef PRINT_INFO #define PRINT_INFO -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_basis/module_pw/pw_basis_k.h" #include "module_cell/klist.h" #include "module_cell/unitcell.h" diff --git a/source/module_io/read_input.cpp b/source/module_io/read_input.cpp index 14d6438010..9e47d93856 100644 --- a/source/module_io/read_input.cpp +++ b/source/module_io/read_input.cpp @@ -8,12 +8,12 @@ #include #include #include -#include "module_base/formatter.h" -#include "module_base/global_file.h" -#include "module_base/global_function.h" -#include "module_base/tool_quit.h" -#include "module_base/tool_title.h" -#include "module_base/module_device/device.h" +#include "source_base/formatter.h" +#include "source_base/global_file.h" +#include "source_base/global_function.h" +#include "source_base/tool_quit.h" +#include "source_base/tool_title.h" +#include "source_base/module_device/device.h" namespace ModuleIO { diff --git a/source/module_io/read_input_item_deepks.cpp b/source/module_io/read_input_item_deepks.cpp index c60976931a..39c8d845ba 100644 --- a/source/module_io/read_input_item_deepks.cpp +++ b/source/module_io/read_input_item_deepks.cpp @@ -1,5 +1,5 @@ -#include "module_base/constants.h" -#include "module_base/tool_quit.h" +#include "source_base/constants.h" +#include "source_base/tool_quit.h" #include "module_parameter/parameter.h" #include "read_input.h" #include "read_input_tool.h" diff --git a/source/module_io/read_input_item_elec_stru.cpp b/source/module_io/read_input_item_elec_stru.cpp index acae10a74a..8daabfdc0e 100644 --- a/source/module_io/read_input_item_elec_stru.cpp +++ b/source/module_io/read_input_item_elec_stru.cpp @@ -1,5 +1,5 @@ -#include "module_base/global_function.h" -#include "module_base/tool_quit.h" +#include "source_base/global_function.h" +#include "source_base/tool_quit.h" #include "read_input.h" #include "read_input_tool.h" diff --git a/source/module_io/read_input_item_exx_dftu.cpp b/source/module_io/read_input_item_exx_dftu.cpp index ea9a9c3927..d3d6dc853b 100644 --- a/source/module_io/read_input_item_exx_dftu.cpp +++ b/source/module_io/read_input_item_exx_dftu.cpp @@ -1,5 +1,5 @@ -#include "module_base/constants.h" -#include "module_base/tool_quit.h" +#include "source_base/constants.h" +#include "source_base/tool_quit.h" #include "read_input.h" #include "read_input_tool.h" namespace ModuleIO diff --git a/source/module_io/read_input_item_md.cpp b/source/module_io/read_input_item_md.cpp index 419a601e28..a49c1bd3e6 100644 --- a/source/module_io/read_input_item_md.cpp +++ b/source/module_io/read_input_item_md.cpp @@ -1,4 +1,4 @@ -#include "module_base/tool_quit.h" +#include "source_base/tool_quit.h" #include "read_input.h" #include "read_input_tool.h" diff --git a/source/module_io/read_input_item_model.cpp b/source/module_io/read_input_item_model.cpp index 30549e5d6f..aa78e84400 100644 --- a/source/module_io/read_input_item_model.cpp +++ b/source/module_io/read_input_item_model.cpp @@ -1,5 +1,5 @@ -#include "module_base/global_function.h" -#include "module_base/tool_quit.h" +#include "source_base/global_function.h" +#include "source_base/tool_quit.h" #include "read_input.h" #include "read_input_tool.h" namespace ModuleIO diff --git a/source/module_io/read_input_item_ofdft.cpp b/source/module_io/read_input_item_ofdft.cpp index 3ed59bdb61..9f729d2793 100644 --- a/source/module_io/read_input_item_ofdft.cpp +++ b/source/module_io/read_input_item_ofdft.cpp @@ -1,6 +1,6 @@ -#include "module_base/global_function.h" -#include "module_base/tool_quit.h" +#include "source_base/global_function.h" +#include "source_base/tool_quit.h" #include "read_input.h" #include "read_input_tool.h" namespace ModuleIO diff --git a/source/module_io/read_input_item_other.cpp b/source/module_io/read_input_item_other.cpp index f4077b3582..74b1e25221 100644 --- a/source/module_io/read_input_item_other.cpp +++ b/source/module_io/read_input_item_other.cpp @@ -1,5 +1,5 @@ -#include "module_base/global_function.h" -#include "module_base/tool_quit.h" +#include "source_base/global_function.h" +#include "source_base/tool_quit.h" #include "read_input.h" #include "read_input_tool.h" diff --git a/source/module_io/read_input_item_output.cpp b/source/module_io/read_input_item_output.cpp index 3d2f15dc64..10947eaf5d 100644 --- a/source/module_io/read_input_item_output.cpp +++ b/source/module_io/read_input_item_output.cpp @@ -1,5 +1,5 @@ -#include "module_base/global_function.h" -#include "module_base/tool_quit.h" +#include "source_base/global_function.h" +#include "source_base/tool_quit.h" #include "read_input.h" #include "read_input_tool.h" namespace ModuleIO diff --git a/source/module_io/read_input_item_postprocess.cpp b/source/module_io/read_input_item_postprocess.cpp index a6ec81238d..f2ef9bd73b 100644 --- a/source/module_io/read_input_item_postprocess.cpp +++ b/source/module_io/read_input_item_postprocess.cpp @@ -1,5 +1,5 @@ -#include "module_base/global_function.h" -#include "module_base/tool_quit.h" +#include "source_base/global_function.h" +#include "source_base/tool_quit.h" #include "read_input.h" #include "read_input_tool.h" namespace ModuleIO diff --git a/source/module_io/read_input_item_relax.cpp b/source/module_io/read_input_item_relax.cpp index 80c012b6ff..e14ad0e5d7 100644 --- a/source/module_io/read_input_item_relax.cpp +++ b/source/module_io/read_input_item_relax.cpp @@ -1,5 +1,5 @@ -#include "module_base/global_function.h" -#include "module_base/tool_quit.h" +#include "source_base/global_function.h" +#include "source_base/tool_quit.h" #include "read_input.h" #include "read_input_tool.h" diff --git a/source/module_io/read_input_item_sdft.cpp b/source/module_io/read_input_item_sdft.cpp index 2f532680b1..d073084a2e 100644 --- a/source/module_io/read_input_item_sdft.cpp +++ b/source/module_io/read_input_item_sdft.cpp @@ -1,5 +1,5 @@ -#include "module_base/global_function.h" -#include "module_base/tool_quit.h" +#include "source_base/global_function.h" +#include "source_base/tool_quit.h" #include "read_input.h" #include "read_input_tool.h" diff --git a/source/module_io/read_input_item_system.cpp b/source/module_io/read_input_item_system.cpp index 797a94ee21..d754f98465 100644 --- a/source/module_io/read_input_item_system.cpp +++ b/source/module_io/read_input_item_system.cpp @@ -1,8 +1,8 @@ -#include "module_base/global_function.h" -#include "module_base/tool_quit.h" +#include "source_base/global_function.h" +#include "source_base/tool_quit.h" #include "read_input.h" #include "read_input_tool.h" -#include "module_base/module_device/device.h" +#include "source_base/module_device/device.h" #include #include diff --git a/source/module_io/read_input_item_tddft.cpp b/source/module_io/read_input_item_tddft.cpp index 9687af495d..5a3ffe3214 100644 --- a/source/module_io/read_input_item_tddft.cpp +++ b/source/module_io/read_input_item_tddft.cpp @@ -1,5 +1,5 @@ -#include "module_base/constants.h" -#include "module_base/tool_quit.h" +#include "source_base/constants.h" +#include "source_base/tool_quit.h" #include "read_input.h" #include "read_input_tool.h" diff --git a/source/module_io/read_input_tool.h b/source/module_io/read_input_tool.h index 649b0044e5..d37967742f 100644 --- a/source/module_io/read_input_tool.h +++ b/source/module_io/read_input_tool.h @@ -2,7 +2,7 @@ #include #include #ifdef __MPI -#include "module_base/parallel_common.h" +#include "source_base/parallel_common.h" #endif #define strvalue item.str_values[0] diff --git a/source/module_io/read_set_globalv.cpp b/source/module_io/read_set_globalv.cpp index 0a2ece4866..d831803883 100644 --- a/source/module_io/read_set_globalv.cpp +++ b/source/module_io/read_set_globalv.cpp @@ -1,5 +1,5 @@ -#include "module_base/global_variable.h" -#include "module_base/tool_quit.h" +#include "source_base/global_variable.h" +#include "source_base/tool_quit.h" #include "module_parameter/parameter.h" #include "read_input.h" #include "read_input_tool.h" diff --git a/source/module_io/read_wf2rho_pw.cpp b/source/module_io/read_wf2rho_pw.cpp index c132d26fd6..ca04fb11a8 100644 --- a/source/module_io/read_wf2rho_pw.cpp +++ b/source/module_io/read_wf2rho_pw.cpp @@ -1,7 +1,7 @@ #include "read_wf2rho_pw.h" #include "read_wfc_pw.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_elecstate/module_charge/symmetry_rho.h" #include "module_parameter/parameter.h" diff --git a/source/module_io/read_wfc_lcao.cpp b/source/module_io/read_wfc_lcao.cpp index 00d6279023..3cb255574f 100644 --- a/source/module_io/read_wfc_lcao.cpp +++ b/source/module_io/read_wfc_lcao.cpp @@ -1,7 +1,7 @@ #include "module_io/read_wfc_lcao.h" -#include "module_base/formatter.h" -#include "module_base/tool_quit.h" +#include "source_base/formatter.h" +#include "source_base/tool_quit.h" #include #include @@ -9,7 +9,7 @@ #include #ifdef __MPI -#include "module_base/parallel_common.h" +#include "source_base/parallel_common.h" #endif /* diff --git a/source/module_io/read_wfc_lcao.h b/source/module_io/read_wfc_lcao.h index 577b0fcff9..47301f3624 100644 --- a/source/module_io/read_wfc_lcao.h +++ b/source/module_io/read_wfc_lcao.h @@ -1,14 +1,14 @@ #ifndef READ_WFC_LCAO_H #define READ_WFC_LCAO_H -#include "module_base/vector3.h" +#include "source_base/vector3.h" #include #include #include #ifdef __MPI -#include "module_base/scalapack_connector.h" -#include "module_base/parallel_2d.h" +#include "source_base/scalapack_connector.h" +#include "source_base/parallel_2d.h" #endif /** diff --git a/source/module_io/read_wfc_nao.cpp b/source/module_io/read_wfc_nao.cpp index 308b9e2a1b..40ec294295 100644 --- a/source/module_io/read_wfc_nao.cpp +++ b/source/module_io/read_wfc_nao.cpp @@ -1,11 +1,11 @@ #include "read_wfc_nao.h" -#include "module_base/parallel_common.h" -#include "module_base/timer.h" +#include "source_base/parallel_common.h" +#include "source_base/timer.h" #include "module_io/write_wfc_nao.h" #include "write_wfc_nao.h" -#include "module_base/scalapack_connector.h" +#include "source_base/scalapack_connector.h" #include "module_io/filename.h" void ModuleIO::read_wfc_nao_one_data(std::ifstream& ifs, double& data) diff --git a/source/module_io/read_wfc_pw.cpp b/source/module_io/read_wfc_pw.cpp index 837023637c..02419f0cad 100644 --- a/source/module_io/read_wfc_pw.cpp +++ b/source/module_io/read_wfc_pw.cpp @@ -2,12 +2,12 @@ #include "module_parameter/parameter.h" #include "binstream.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/parallel_common.h" -#include "module_base/parallel_global.h" -#include "module_base/timer.h" -#include "module_base/vector3.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/parallel_common.h" +#include "source_base/parallel_global.h" +#include "source_base/timer.h" +#include "source_base/vector3.h" void ModuleIO::read_wfc_pw(const std::string& filename, const ModulePW::PW_Basis_K* pw_wfc, diff --git a/source/module_io/restart.cpp b/source/module_io/restart.cpp index fe8c143b05..1841f3bb37 100644 --- a/source/module_io/restart.cpp +++ b/source/module_io/restart.cpp @@ -6,7 +6,7 @@ #include #include -#include "module_base/global_function.h" +#include "source_base/global_function.h" void Restart::write_file1(const std::string &file_name, const void*const ptr, const size_t size) const { diff --git a/source/module_io/restart.h b/source/module_io/restart.h index 16bae1fa0f..d3cf0cf2df 100644 --- a/source/module_io/restart.h +++ b/source/module_io/restart.h @@ -2,8 +2,8 @@ #define RESTART_H #include -#include "module_base/global_function.h" -#include "module_base/abfs-vector3_order.h" +#include "source_base/global_function.h" +#include "source_base/abfs-vector3_order.h" #ifdef __EXX #include #endif diff --git a/source/module_io/restart_exx_csr.h b/source/module_io/restart_exx_csr.h index 1eab69f4ef..fb028d059f 100644 --- a/source/module_io/restart_exx_csr.h +++ b/source/module_io/restart_exx_csr.h @@ -1,5 +1,5 @@ #pragma once -#include "module_base/abfs-vector3_order.h" +#include "source_base/abfs-vector3_order.h" #include "module_cell/unitcell.h" #include "module_ri/serialization_cereal.h" #include diff --git a/source/module_io/rhog_io.cpp b/source/module_io/rhog_io.cpp index f01b78fdcb..cb099c82dd 100644 --- a/source/module_io/rhog_io.cpp +++ b/source/module_io/rhog_io.cpp @@ -1,10 +1,10 @@ #include "binstream.h" -#include "module_base/global_function.h" +#include "source_base/global_function.h" #include "module_parameter/parameter.h" -#include "module_base/global_variable.h" -#include "module_base/parallel_global.h" -#include "module_base/timer.h" -#include "module_base/vector3.h" +#include "source_base/global_variable.h" +#include "source_base/parallel_global.h" +#include "source_base/timer.h" +#include "source_base/vector3.h" #include "rhog_io.h" #include #include diff --git a/source/module_io/single_R_io.cpp b/source/module_io/single_R_io.cpp index d49651b479..cf096dcc01 100644 --- a/source/module_io/single_R_io.cpp +++ b/source/module_io/single_R_io.cpp @@ -1,8 +1,8 @@ #include "single_R_io.h" -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_reduce.h" #include "module_parameter/parameter.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" inline void write_data(std::ofstream& ofs, const double& data) { diff --git a/source/module_io/sparse_matrix.cpp b/source/module_io/sparse_matrix.cpp index 54a564ef98..779760430a 100644 --- a/source/module_io/sparse_matrix.cpp +++ b/source/module_io/sparse_matrix.cpp @@ -3,7 +3,7 @@ #include #include -#include "module_base/tool_quit.h" +#include "source_base/tool_quit.h" namespace ModuleIO { diff --git a/source/module_io/td_current_io.cpp b/source/module_io/td_current_io.cpp index f50cde9caf..6af28f80b9 100644 --- a/source/module_io/td_current_io.cpp +++ b/source/module_io/td_current_io.cpp @@ -1,12 +1,12 @@ #include "td_current_io.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/libm/libm.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" -#include "module_base/tool_threading.h" -#include "module_base/vector3.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/libm/libm.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" +#include "source_base/tool_threading.h" +#include "source_base/vector3.h" #include "module_elecstate/module_dm/cal_dm_psi.h" #include "module_elecstate/module_pot/H_TDDFT_pw.h" #include "module_hamilt_lcao/hamilt_lcaodft/LCAO_domain.h" diff --git a/source/module_io/test/CMakeLists.txt b/source/module_io/test/CMakeLists.txt index 67032896b3..a5cb4a23f5 100644 --- a/source/module_io/test/CMakeLists.txt +++ b/source/module_io/test/CMakeLists.txt @@ -74,11 +74,11 @@ AddTest( TARGET MODULE_IO_single_R_test LIBS parameter ${math_libs} SOURCES single_R_io_test.cpp ../single_R_io.cpp - ../../module_base/global_variable.cpp - ../../module_base/parallel_reduce.cpp - ../../module_base/parallel_common.cpp - ../../module_base/parallel_global.cpp - ../../module_base/parallel_comm.cpp + ../../source_base/global_variable.cpp + ../../source_base/parallel_reduce.cpp + ../../source_base/parallel_common.cpp + ../../source_base/parallel_global.cpp + ../../source_base/parallel_comm.cpp ) AddTest( diff --git a/source/module_io/test/cal_dos_test.cpp b/source/module_io/test/cal_dos_test.cpp index 96173c9c25..ba73be40ec 100644 --- a/source/module_io/test/cal_dos_test.cpp +++ b/source/module_io/test/cal_dos_test.cpp @@ -1,7 +1,7 @@ #include "gtest/gtest.h" #include "gmock/gmock.h" #include "module_io/cal_dos.h" -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" #include #ifdef __MPI #include "mpi.h" diff --git a/source/module_io/test/cal_pLpR_test.cpp b/source/module_io/test/cal_pLpR_test.cpp index d9f9b92085..629efc9a28 100644 --- a/source/module_io/test/cal_pLpR_test.cpp +++ b/source/module_io/test/cal_pLpR_test.cpp @@ -7,8 +7,8 @@ #include "module_io/cal_pLpR.h" #include "module_basis/module_nao/two_center_integrator.h" #include "module_basis/module_nao/radial_collection.h" -#include "module_base/spherical_bessel_transformer.h" -#include "module_base/ylm.h" +#include "source_base/spherical_bessel_transformer.h" +#include "source_base/ylm.h" #define DOUBLETHRESHOLD 1e-12 diff --git a/source/module_io/test/cif_io_test.cpp b/source/module_io/test/cif_io_test.cpp index b8f3ae4b74..7e6c3b7fae 100644 --- a/source/module_io/test/cif_io_test.cpp +++ b/source/module_io/test/cif_io_test.cpp @@ -2,7 +2,7 @@ #include "module_io/cif_io.h" #include #include -#include "module_base/formatter.h" +#include "source_base/formatter.h" #include #ifdef __MPI diff --git a/source/module_io/test/dos_test.h b/source/module_io/test/dos_test.h index f814c7d7ce..2f72303ea4 100644 --- a/source/module_io/test/dos_test.h +++ b/source/module_io/test/dos_test.h @@ -3,7 +3,7 @@ #include #include -#include"module_base/constants.h" +#include"source_base/constants.h" class DosPrepare { diff --git a/source/module_io/test/for_testing_klist.h b/source/module_io/test/for_testing_klist.h index 779bcb932b..5ac8c1b486 100644 --- a/source/module_io/test/for_testing_klist.h +++ b/source/module_io/test/for_testing_klist.h @@ -1,7 +1,7 @@ #ifndef FOR_TESTING_KLIST_H #define FOR_TESTING_KLIST_H -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "module_basis/module_ao/ORB_gaunt_table.h" #include "module_cell/atom_pseudo.h" #include "module_cell/atom_spec.h" diff --git a/source/module_io/test/io_dmk_test.cpp b/source/module_io/test/io_dmk_test.cpp index f7a4391b27..15b7323bd7 100644 --- a/source/module_io/test/io_dmk_test.cpp +++ b/source/module_io/test/io_dmk_test.cpp @@ -3,12 +3,12 @@ #define private public #include "module_parameter/parameter.h" #undef private -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" #include "prepare_unitcell.h" #include "gmock/gmock.h" #include "gtest/gtest.h" -#include "module_base/scalapack_connector.h" +#include "source_base/scalapack_connector.h" #ifdef __MPI #include "mpi.h" diff --git a/source/module_io/test/numerical_basis_test.cpp b/source/module_io/test/numerical_basis_test.cpp index c0e30e30fa..acbac630aa 100644 --- a/source/module_io/test/numerical_basis_test.cpp +++ b/source/module_io/test/numerical_basis_test.cpp @@ -1,6 +1,6 @@ -#include "module_base/math_sphbes.h" -#include "module_base/matrix3.h" -#include "module_base/vector3.h" +#include "source_base/math_sphbes.h" +#include "source_base/matrix3.h" +#include "source_base/vector3.h" #include "module_io/numerical_basis_jyjy.h" #include "gtest/gtest.h" diff --git a/source/module_io/test/orb_io_test.cpp b/source/module_io/test/orb_io_test.cpp index a5c9e1df9f..a9621f6a81 100644 --- a/source/module_io/test/orb_io_test.cpp +++ b/source/module_io/test/orb_io_test.cpp @@ -5,8 +5,8 @@ #include #endif -#include "module_base/constants.h" -#include "module_base/global_variable.h" +#include "source_base/constants.h" +#include "source_base/global_variable.h" class OrbIOTest : public testing::Test { diff --git a/source/module_io/test/outputlog_test.cpp b/source/module_io/test/outputlog_test.cpp index 786f6017df..3e05202b44 100644 --- a/source/module_io/test/outputlog_test.cpp +++ b/source/module_io/test/outputlog_test.cpp @@ -8,8 +8,8 @@ #include #include -#include "module_base/constants.h" -#include "module_base/global_variable.h" +#include "source_base/constants.h" +#include "source_base/global_variable.h" #include "module_io/output_log.h" #ifdef __MPI diff --git a/source/module_io/test/prepare_unitcell.h b/source/module_io/test/prepare_unitcell.h index 8e43ec4223..e05792a96d 100644 --- a/source/module_io/test/prepare_unitcell.h +++ b/source/module_io/test/prepare_unitcell.h @@ -2,7 +2,7 @@ #define PREPARE_UNITCELL_H #include #include -#include "module_base/mathzone.h" +#include "source_base/mathzone.h" class UcellTestPrepare { diff --git a/source/module_io/test/read_input_ptest.cpp b/source/module_io/test/read_input_ptest.cpp index 2ec4bdce1d..14051da462 100644 --- a/source/module_io/test/read_input_ptest.cpp +++ b/source/module_io/test/read_input_ptest.cpp @@ -3,12 +3,12 @@ #include "gmock/gmock.h" #include "gtest/gtest.h" -#include "module_base/tool_quit.h" +#include "source_base/tool_quit.h" #include "module_io/read_input.h" #include "module_parameter/parameter.h" // #ifdef __MPI -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "module_basis/module_pw/test/test_tool.h" #include "mpi.h" // #endif diff --git a/source/module_io/test/read_wf2rho_pw_test.cpp b/source/module_io/test/read_wf2rho_pw_test.cpp index e8e0214236..3235f3cd67 100644 --- a/source/module_io/test/read_wf2rho_pw_test.cpp +++ b/source/module_io/test/read_wf2rho_pw_test.cpp @@ -17,7 +17,7 @@ #include "module_psi/psi.h" #ifdef __MPI -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "module_basis/module_pw/test/test_tool.h" #include "mpi.h" #endif diff --git a/source/module_io/test/read_wfc_pw_test.cpp b/source/module_io/test/read_wfc_pw_test.cpp index 2c17de3a15..caf4a090b1 100644 --- a/source/module_io/test/read_wfc_pw_test.cpp +++ b/source/module_io/test/read_wfc_pw_test.cpp @@ -6,7 +6,7 @@ #include "gmock/gmock.h" #include "gtest/gtest.h" #ifdef __MPI -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "module_basis/module_pw/test/test_tool.h" #include "mpi.h" #endif diff --git a/source/module_io/test/single_R_io_test.cpp b/source/module_io/test/single_R_io_test.cpp index 7b142fa25f..54c53a54a9 100644 --- a/source/module_io/test/single_R_io_test.cpp +++ b/source/module_io/test/single_R_io_test.cpp @@ -4,7 +4,7 @@ #include "module_parameter/parameter.h" #undef private #include "module_io/single_R_io.h" -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" #include "module_basis/module_ao/parallel_orbitals.h" /************************************************ * unit test of output_single_R diff --git a/source/module_io/test/write_istate_info_test.cpp b/source/module_io/test/write_istate_info_test.cpp index e17fb2c72e..6a2ea58eed 100644 --- a/source/module_io/test/write_istate_info_test.cpp +++ b/source/module_io/test/write_istate_info_test.cpp @@ -1,4 +1,4 @@ -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" #define private public #include "module_parameter/parameter.h" @@ -7,7 +7,7 @@ #include "gtest/gtest.h" #include #ifdef __MPI -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "module_cell/parallel_kpoints.h" #include "mpi.h" #endif diff --git a/source/module_io/test/write_wfc_nao_test.cpp b/source/module_io/test/write_wfc_nao_test.cpp index 844b23883f..a564169e05 100644 --- a/source/module_io/test/write_wfc_nao_test.cpp +++ b/source/module_io/test/write_wfc_nao_test.cpp @@ -5,8 +5,8 @@ #include "module_parameter/parameter.h" #undef private #include "../binstream.h" -#include "module_base/global_variable.h" -#include "module_base/scalapack_connector.h" +#include "source_base/global_variable.h" +#include "source_base/scalapack_connector.h" #include "gmock/gmock.h" #include "gtest/gtest.h" diff --git a/source/module_io/test_serial/CMakeLists.txt b/source/module_io/test_serial/CMakeLists.txt index 807a32c8f0..be54c7bf82 100644 --- a/source/module_io/test_serial/CMakeLists.txt +++ b/source/module_io/test_serial/CMakeLists.txt @@ -28,8 +28,8 @@ AddTest( TARGET MODULE_IO_read_input_serial LIBS parameter ${math_libs} io_input_serial SOURCES read_input_test.cpp - ../../module_base/test/tool_quit_no_exit.cpp - ../../module_base/module_device/device.cpp + ../../source_base/test/tool_quit_no_exit.cpp + ../../source_base/module_device/device.cpp ) AddTest( diff --git a/source/module_io/test_serial/io_system_variable_test.cpp b/source/module_io/test_serial/io_system_variable_test.cpp index 499399a69d..05de7baec1 100644 --- a/source/module_io/test_serial/io_system_variable_test.cpp +++ b/source/module_io/test_serial/io_system_variable_test.cpp @@ -5,7 +5,7 @@ #include "gmock/gmock.h" #include "gtest/gtest.h" -#include "module_base/tool_quit.h" +#include "source_base/tool_quit.h" /************************************************ * unit test of read_input_test_item.cpp ***********************************************/ diff --git a/source/module_io/test_serial/prepare_unitcell.h b/source/module_io/test_serial/prepare_unitcell.h index 25005fcc50..0ae5df18d3 100644 --- a/source/module_io/test_serial/prepare_unitcell.h +++ b/source/module_io/test_serial/prepare_unitcell.h @@ -2,7 +2,7 @@ #define PREPARE_UNITCELL_H #include #include -#include "module_base/mathzone.h" +#include "source_base/mathzone.h" class UcellTestPrepare { diff --git a/source/module_io/test_serial/read_input_item_test.cpp b/source/module_io/test_serial/read_input_item_test.cpp index 863b1d0a9d..edba8327c4 100644 --- a/source/module_io/test_serial/read_input_item_test.cpp +++ b/source/module_io/test_serial/read_input_item_test.cpp @@ -5,7 +5,7 @@ #include "gmock/gmock.h" #include "gtest/gtest.h" -#include "module_base/tool_quit.h" +#include "source_base/tool_quit.h" /************************************************ * unit test of read_input_test_item.cpp ***********************************************/ diff --git a/source/module_io/test_serial/read_input_test.cpp b/source/module_io/test_serial/read_input_test.cpp index d3c95d4149..9a00f9c278 100644 --- a/source/module_io/test_serial/read_input_test.cpp +++ b/source/module_io/test_serial/read_input_test.cpp @@ -1,6 +1,6 @@ #include "module_io/read_input.h" -#include "module_base/tool_quit.h" +#include "source_base/tool_quit.h" #include "module_parameter/parameter.h" #include "gmock/gmock.h" diff --git a/source/module_io/test_serial/rho_io_test.cpp b/source/module_io/test_serial/rho_io_test.cpp index 339da2ae3f..bb79bf4b91 100644 --- a/source/module_io/test_serial/rho_io_test.cpp +++ b/source/module_io/test_serial/rho_io_test.cpp @@ -2,7 +2,7 @@ #include "gmock/gmock.h" #include "gtest/gtest.h" -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" #include "module_io/cube_io.h" #include "prepare_unitcell.h" #include "module_hamilt_pw/hamilt_pwdft/parallel_grid.h" diff --git a/source/module_io/to_qo.h b/source/module_io/to_qo.h index ecbcf5b287..3821f6c32b 100644 --- a/source/module_io/to_qo.h +++ b/source/module_io/to_qo.h @@ -5,8 +5,8 @@ #include #include "module_cell/unitcell.h" #include "module_basis/module_nao/two_center_integrator.h" -#include "module_base/atom_in.h" -#include "module_base/vector3.h" +#include "source_base/atom_in.h" +#include "source_base/vector3.h" /* Quasiatomic Orbital (QO) transformation and analysis diff --git a/source/module_io/to_qo_kernel.cpp b/source/module_io/to_qo_kernel.cpp index 0b4008bc09..4404f15c10 100644 --- a/source/module_io/to_qo_kernel.cpp +++ b/source/module_io/to_qo_kernel.cpp @@ -1,9 +1,9 @@ -#include "module_base/libm/libm.h" -#include "module_base/ylm.h" +#include "source_base/libm/libm.h" +#include "source_base/ylm.h" #include "module_basis/module_nao/two_center_integrator.h" #include "module_io/to_qo.h" #ifdef __MPI -#include "module_base/parallel_common.h" +#include "source_base/parallel_common.h" #endif // how define QO task, how create QO instance toQO::toQO(const std::string& qo_basis, diff --git a/source/module_io/to_qo_mpi.cpp b/source/module_io/to_qo_mpi.cpp index 52c198ba92..4de45c1447 100644 --- a/source/module_io/to_qo_mpi.cpp +++ b/source/module_io/to_qo_mpi.cpp @@ -1,6 +1,6 @@ #include "module_io/to_qo.h" #ifdef __MPI -#include "../module_base/parallel_common.h" +#include "../source_base/parallel_common.h" #endif void toQO::bcast_stdvector_ofvector3int(std::vector>& vec, diff --git a/source/module_io/to_qo_structures.cpp b/source/module_io/to_qo_structures.cpp index db598672d2..347197b14f 100644 --- a/source/module_io/to_qo_structures.cpp +++ b/source/module_io/to_qo_structures.cpp @@ -1,6 +1,6 @@ #include "module_io/to_qo.h" #ifdef __MPI -#include "../module_base/parallel_common.h" +#include "../source_base/parallel_common.h" #endif void toQO::read_structures(const UnitCell* p_ucell, const std::vector>& kvecs_d, diff --git a/source/module_io/to_wannier90.cpp b/source/module_io/to_wannier90.cpp index beec844526..2ee7b276dc 100644 --- a/source/module_io/to_wannier90.cpp +++ b/source/module_io/to_wannier90.cpp @@ -1,10 +1,10 @@ #include "to_wannier90.h" #include "module_parameter/parameter.h" -#include "module_base/math_integral.h" -#include "module_base/math_polyint.h" -#include "module_base/math_sphbes.h" -#include "module_base/math_ylmreal.h" +#include "source_base/math_integral.h" +#include "source_base/math_polyint.h" +#include "source_base/math_sphbes.h" +#include "source_base/math_ylmreal.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" toWannier90::toWannier90() diff --git a/source/module_io/to_wannier90.h b/source/module_io/to_wannier90.h index 4d93bcb2f9..abd2c3abec 100644 --- a/source/module_io/to_wannier90.h +++ b/source/module_io/to_wannier90.h @@ -8,17 +8,17 @@ #include #include -#include "module_base/complexmatrix.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/lapack_connector.h" -#include "module_base/matrix.h" -#include "module_base/matrix3.h" +#include "source_base/complexmatrix.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/lapack_connector.h" +#include "source_base/matrix.h" +#include "source_base/matrix3.h" #include "module_cell/klist.h" #include "module_hamilt_lcao/hamilt_lcaodft/wavefunc_in_pw.h" #include "module_psi/psi.h" -#include "module_base/parallel_common.h" -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_common.h" +#include "source_base/parallel_reduce.h" class toWannier90 { diff --git a/source/module_io/to_wannier90_lcao.cpp b/source/module_io/to_wannier90_lcao.cpp index e55b19d8f5..e4ad647a4a 100644 --- a/source/module_io/to_wannier90_lcao.cpp +++ b/source/module_io/to_wannier90_lcao.cpp @@ -2,12 +2,12 @@ #include "module_parameter/parameter.h" #include "fR_overlap.h" -#include "module_base/math_integral.h" -#include "module_base/math_polyint.h" -#include "module_base/math_sphbes.h" -#include "module_base/math_ylmreal.h" -#include "module_base/parallel_reduce.h" -#include "module_base/scalapack_connector.h" +#include "source_base/math_integral.h" +#include "source_base/math_polyint.h" +#include "source_base/math_sphbes.h" +#include "source_base/math_ylmreal.h" +#include "source_base/parallel_reduce.h" +#include "source_base/scalapack_connector.h" #include "module_hamilt_lcao/module_hcontainer/atom_pair.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/module_io/to_wannier90_lcao.h b/source/module_io/to_wannier90_lcao.h index 547d1ef21e..a812fd213b 100644 --- a/source/module_io/to_wannier90_lcao.h +++ b/source/module_io/to_wannier90_lcao.h @@ -1,18 +1,18 @@ #ifndef TOWannier90_LCAO_H #define TOWannier90_LCAO_H -#include "module_base/abfs-vector3_order.h" -#include "module_base/complexmatrix.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/lapack_connector.h" -#include "module_base/matrix.h" -#include "module_base/matrix3.h" -#include "module_base/parallel_reduce.h" -#include "module_base/sph_bessel_recursive.h" -#include "module_base/timer.h" -#include "module_base/vector3.h" -#include "module_base/ylm.h" +#include "source_base/abfs-vector3_order.h" +#include "source_base/complexmatrix.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/lapack_connector.h" +#include "source_base/matrix.h" +#include "source_base/matrix3.h" +#include "source_base/parallel_reduce.h" +#include "source_base/sph_bessel_recursive.h" +#include "source_base/timer.h" +#include "source_base/vector3.h" +#include "source_base/ylm.h" #include "module_basis/module_ao/ORB_atomic_lm.h" #include "module_basis/module_ao/ORB_gaunt_table.h" #include "module_basis/module_ao/ORB_read.h" @@ -38,8 +38,8 @@ #ifdef __LCAO #include "fR_overlap.h" -#include "module_base/abfs-vector3_order.h" -#include "module_base/math_lebedev_laikov.h" +#include "source_base/abfs-vector3_order.h" +#include "source_base/math_lebedev_laikov.h" #include "module_hamilt_lcao/module_gint/grid_technique.h" #include "module_hamilt_lcao/module_hcontainer/hcontainer.h" diff --git a/source/module_io/to_wannier90_lcao_in_pw.cpp b/source/module_io/to_wannier90_lcao_in_pw.cpp index e067671465..af7180b179 100644 --- a/source/module_io/to_wannier90_lcao_in_pw.cpp +++ b/source/module_io/to_wannier90_lcao_in_pw.cpp @@ -2,11 +2,11 @@ #include "module_parameter/parameter.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" -#include "module_base/math_integral.h" -#include "module_base/math_polyint.h" -#include "module_base/math_sphbes.h" -#include "module_base/math_ylmreal.h" -#include "module_base/parallel_reduce.h" +#include "source_base/math_integral.h" +#include "source_base/math_polyint.h" +#include "source_base/math_sphbes.h" +#include "source_base/math_ylmreal.h" +#include "source_base/parallel_reduce.h" #include "binstream.h" #include "module_psi/psi_initializer_nao.h" diff --git a/source/module_io/to_wannier90_lcao_in_pw.h b/source/module_io/to_wannier90_lcao_in_pw.h index 16bccd20e3..b5bd1a81f5 100644 --- a/source/module_io/to_wannier90_lcao_in_pw.h +++ b/source/module_io/to_wannier90_lcao_in_pw.h @@ -1,17 +1,17 @@ #ifndef W_ABACUS_DEVELOP_ABACUS_DEVELOP_SOURCE_MODULE_IO_TO_WANNIER90_LCAO_IN_PW_H #define W_ABACUS_DEVELOP_ABACUS_DEVELOP_SOURCE_MODULE_IO_TO_WANNIER90_LCAO_IN_PW_H -#include "module_base/abfs-vector3_order.h" -#include "module_base/complexmatrix.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/lapack_connector.h" -#include "module_base/matrix.h" -#include "module_base/matrix3.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" -#include "module_base/vector3.h" -#include "module_base/ylm.h" +#include "source_base/abfs-vector3_order.h" +#include "source_base/complexmatrix.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/lapack_connector.h" +#include "source_base/matrix.h" +#include "source_base/matrix3.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" +#include "source_base/vector3.h" +#include "source_base/ylm.h" #include "module_basis/module_ao/ORB_atomic_lm.h" #include "module_basis/module_ao/ORB_gaunt_table.h" #include "module_basis/module_ao/ORB_read.h" diff --git a/source/module_io/to_wannier90_pw.cpp b/source/module_io/to_wannier90_pw.cpp index 1fa81a89aa..fe9354f778 100644 --- a/source/module_io/to_wannier90_pw.cpp +++ b/source/module_io/to_wannier90_pw.cpp @@ -2,11 +2,11 @@ #include "module_parameter/parameter.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" -#include "module_base/math_integral.h" -#include "module_base/math_polyint.h" -#include "module_base/math_sphbes.h" -#include "module_base/math_ylmreal.h" -#include "module_base/parallel_reduce.h" +#include "source_base/math_integral.h" +#include "source_base/math_polyint.h" +#include "source_base/math_sphbes.h" +#include "source_base/math_ylmreal.h" +#include "source_base/parallel_reduce.h" #include "binstream.h" toWannier90_PW::toWannier90_PW( diff --git a/source/module_io/to_wannier90_pw.h b/source/module_io/to_wannier90_pw.h index f7f5768ff2..bc5abcbc42 100644 --- a/source/module_io/to_wannier90_pw.h +++ b/source/module_io/to_wannier90_pw.h @@ -9,12 +9,12 @@ #include "to_wannier90.h" -#include "module_base/complexmatrix.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/lapack_connector.h" -#include "module_base/matrix.h" -#include "module_base/matrix3.h" +#include "source_base/complexmatrix.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/lapack_connector.h" +#include "source_base/matrix.h" +#include "source_base/matrix3.h" #include "module_cell/klist.h" #include "module_hamilt_lcao/hamilt_lcaodft/wavefunc_in_pw.h" #include "module_psi/psi.h" diff --git a/source/module_io/unk_overlap_lcao.cpp b/source/module_io/unk_overlap_lcao.cpp index 3f1806ab44..3017e869ee 100644 --- a/source/module_io/unk_overlap_lcao.cpp +++ b/source/module_io/unk_overlap_lcao.cpp @@ -2,7 +2,7 @@ #include "module_parameter/parameter.h" #include "ctime" -#include "module_base/scalapack_connector.h" +#include "source_base/scalapack_connector.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/module_io/unk_overlap_lcao.h b/source/module_io/unk_overlap_lcao.h index 241ac3d775..6ce1140e12 100644 --- a/source/module_io/unk_overlap_lcao.h +++ b/source/module_io/unk_overlap_lcao.h @@ -1,9 +1,9 @@ #ifndef UNKOVERLAP_LCAO #define UNKOVERLAP_LCAO -#include "module_base/sph_bessel_recursive.h" -#include "module_base/vector3.h" -#include "module_base/ylm.h" +#include "source_base/sph_bessel_recursive.h" +#include "source_base/vector3.h" +#include "source_base/ylm.h" #include "module_basis/module_ao/ORB_atomic_lm.h" #include "module_basis/module_ao/ORB_gaunt_table.h" #include "module_basis/module_ao/ORB_read.h" diff --git a/source/module_io/unk_overlap_pw.h b/source/module_io/unk_overlap_pw.h index 351532f892..4bf7dcd4eb 100644 --- a/source/module_io/unk_overlap_pw.h +++ b/source/module_io/unk_overlap_pw.h @@ -6,11 +6,11 @@ #include #include -#include "module_base/complexmatrix.h" -#include "module_base/global_variable.h" -#include "module_base/lapack_connector.h" -#include "module_base/parallel_reduce.h" -#include "module_base/vector3.h" +#include "source_base/complexmatrix.h" +#include "source_base/global_variable.h" +#include "source_base/lapack_connector.h" +#include "source_base/parallel_reduce.h" +#include "source_base/vector3.h" #include "module_basis/module_pw/pw_basis.h" #include "module_basis/module_pw/pw_basis_k.h" #include "module_psi/psi.h" diff --git a/source/module_io/winput.cpp b/source/module_io/winput.cpp index 2b3a3f9d29..70e8343b44 100644 --- a/source/module_io/winput.cpp +++ b/source/module_io/winput.cpp @@ -690,7 +690,7 @@ void winput::Print(const std::string& fn) return; } -#include "module_base/parallel_common.h" +#include "source_base/parallel_common.h" #ifdef __MPI void winput::Bcast() { diff --git a/source/module_io/write_HS.h b/source/module_io/write_HS.h index 1226f841a8..868e81db6c 100644 --- a/source/module_io/write_HS.h +++ b/source/module_io/write_HS.h @@ -4,8 +4,8 @@ #include #include -//#include "module_base/global_function.h" -//#include "module_base/global_variable.h" +//#include "source_base/global_function.h" +//#include "source_base/global_variable.h" #include "module_basis/module_ao/parallel_orbitals.h" // use Parallel_Orbitals diff --git a/source/module_io/write_HS.hpp b/source/module_io/write_HS.hpp index 7be1d23c52..aad753eabe 100644 --- a/source/module_io/write_HS.hpp +++ b/source/module_io/write_HS.hpp @@ -1,8 +1,8 @@ #include "write_HS.h" #include "module_parameter/parameter.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_io/filename.h" // use filename_output function diff --git a/source/module_io/write_HS_R.cpp b/source/module_io/write_HS_R.cpp index 97a0fd4d3b..90349de747 100644 --- a/source/module_io/write_HS_R.cpp +++ b/source/module_io/write_HS_R.cpp @@ -1,7 +1,7 @@ #include "write_HS_R.h" #include "module_parameter/parameter.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_hamilt_lcao/hamilt_lcaodft/LCAO_HS_arrays.hpp" #include "module_hamilt_lcao/hamilt_lcaodft/spar_dh.h" #include "module_hamilt_lcao/hamilt_lcaodft/spar_hsr.h" diff --git a/source/module_io/write_HS_R.h b/source/module_io/write_HS_R.h index 37ab95562d..27b59566ae 100644 --- a/source/module_io/write_HS_R.h +++ b/source/module_io/write_HS_R.h @@ -1,7 +1,7 @@ #ifndef WRITE_HS_R_H #define WRITE_HS_R_H -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "module_basis/module_nao/two_center_bundle.h" #include "module_cell/klist.h" #include "module_hamilt_general/hamilt.h" diff --git a/source/module_io/write_HS_sparse.cpp b/source/module_io/write_HS_sparse.cpp index 4b105e0e7c..f6a6f264e8 100644 --- a/source/module_io/write_HS_sparse.cpp +++ b/source/module_io/write_HS_sparse.cpp @@ -1,8 +1,8 @@ #include "write_HS_sparse.h" #include "module_parameter/parameter.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" #include "module_hamilt_lcao/module_tddft/td_velocity.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "single_R_io.h" diff --git a/source/module_io/write_HS_sparse.h b/source/module_io/write_HS_sparse.h index b3e0a2a75c..236f15e2bc 100644 --- a/source/module_io/write_HS_sparse.h +++ b/source/module_io/write_HS_sparse.h @@ -1,8 +1,8 @@ #ifndef WRITE_HS_SPARSE_H #define WRITE_HS_SPARSE_H -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" #include "module_basis/module_ao/parallel_orbitals.h" #include "module_hamilt_lcao/hamilt_lcaodft/LCAO_HS_arrays.hpp" diff --git a/source/module_io/write_cube.cpp b/source/module_io/write_cube.cpp index acff92eac1..3427d444cd 100644 --- a/source/module_io/write_cube.cpp +++ b/source/module_io/write_cube.cpp @@ -1,5 +1,5 @@ -#include "module_base/element_name.h" -#include "module_base/parallel_comm.h" +#include "source_base/element_name.h" +#include "source_base/parallel_comm.h" #include "module_hamilt_pw/hamilt_pwdft/parallel_grid.h" #include "module_io/cube_io.h" #include "module_parameter/parameter.h" diff --git a/source/module_io/write_dipole.cpp b/source/module_io/write_dipole.cpp index e1a7c0fa4d..9b62038fb0 100644 --- a/source/module_io/write_dipole.cpp +++ b/source/module_io/write_dipole.cpp @@ -1,4 +1,4 @@ -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_reduce.h" #include "module_elecstate/module_charge/charge.h" #include "module_hamilt_lcao/module_tddft/evolve_elec.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/module_io/write_dos_lcao.h b/source/module_io/write_dos_lcao.h index 406e0eb871..8a9d4ef511 100644 --- a/source/module_io/write_dos_lcao.h +++ b/source/module_io/write_dos_lcao.h @@ -1,7 +1,7 @@ #ifndef WRITE_DOS_LCAO_H #define WRITE_DOS_LCAO_H -#include "module_base/matrix.h" // use matrix +#include "source_base/matrix.h" // use matrix #include "module_cell/klist.h" // use K_Vectors #include "module_psi/psi.h" // use psi::Psi #include "module_hamilt_general/hamilt.h" // use hamilt::Hamilt diff --git a/source/module_io/write_dos_pw.cpp b/source/module_io/write_dos_pw.cpp index 76a9bc60de..8560455c8d 100644 --- a/source/module_io/write_dos_pw.cpp +++ b/source/module_io/write_dos_pw.cpp @@ -1,7 +1,7 @@ #include "write_dos_pw.h" #include "cal_dos.h" #include "nscf_fermi_surf.h" -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_reduce.h" #include "module_parameter/parameter.h" void ModuleIO::write_dos_pw( diff --git a/source/module_io/write_dos_pw.h b/source/module_io/write_dos_pw.h index b57eb54024..1d4a9cc57c 100644 --- a/source/module_io/write_dos_pw.h +++ b/source/module_io/write_dos_pw.h @@ -1,7 +1,7 @@ #ifndef WRITE_DOS_PW_H #define WRITE_DOS_PW_H -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "module_cell/unitcell.h" #include "module_cell/klist.h" #include "module_elecstate/fp_energy.h" diff --git a/source/module_io/write_elecstat_pot.cpp b/source/module_io/write_elecstat_pot.cpp index 714fe71f49..59f000c943 100644 --- a/source/module_io/write_elecstat_pot.cpp +++ b/source/module_io/write_elecstat_pot.cpp @@ -1,5 +1,5 @@ -#include "module_base/element_name.h" -#include "module_base/timer.h" +#include "source_base/element_name.h" +#include "source_base/timer.h" #include "module_parameter/parameter.h" #include "module_elecstate/module_pot/H_Hartree_pw.h" #include "module_elecstate/module_pot/efield.h" diff --git a/source/module_io/write_istate_info.cpp b/source/module_io/write_istate_info.cpp index d6894066ee..3cb187bf6a 100644 --- a/source/module_io/write_istate_info.cpp +++ b/source/module_io/write_istate_info.cpp @@ -1,10 +1,10 @@ #include "write_istate_info.h" #include "module_parameter/parameter.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/timer.h" -#include "module_base/parallel_comm.h" // use POOL_WORLD +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/timer.h" +#include "source_base/parallel_comm.h" // use POOL_WORLD #ifdef __MPI #include // use MPI_Barrier diff --git a/source/module_io/write_istate_info.h b/source/module_io/write_istate_info.h index 723f1efa93..279f8c8217 100644 --- a/source/module_io/write_istate_info.h +++ b/source/module_io/write_istate_info.h @@ -1,6 +1,6 @@ #ifndef WRITE_ISTATE_INFO_H #define WRITE_ISTATE_INFO_H -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "module_cell/klist.h" #include "module_cell/parallel_kpoints.h" diff --git a/source/module_io/write_libxc_r.cpp b/source/module_io/write_libxc_r.cpp index 076a8d02c9..9517186c21 100644 --- a/source/module_io/write_libxc_r.cpp +++ b/source/module_io/write_libxc_r.cpp @@ -6,443 +6,488 @@ #ifdef USE_LIBXC #include "write_libxc_r.h" + +#include "module_basis/module_pw/pw_basis.h" +#include "module_basis/module_pw/pw_basis_big.h" +#include "module_elecstate/module_charge/charge.h" #include "module_hamilt_general/module_xc/xc_functional.h" #include "module_hamilt_general/module_xc/xc_functional_libxc.h" -#include "module_elecstate/module_charge/charge.h" -#include "module_basis/module_pw/pw_basis_big.h" -#include "module_basis/module_pw/pw_basis.h" #include "module_io/cube_io.h" -#include "module_base/global_variable.h" #include "module_parameter/parameter.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/global_variable.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" -#include #include -#include #include #include +#include +#include + -void ModuleIO::write_libxc_r( - const int order, - const std::vector &func_id, - const int &nrxx, // number of real-space grid - const double &omega, // volume of cell - const double tpiba, - const Charge &chr, - const ModulePW::PW_Basis_Big &pw_big, - const ModulePW::PW_Basis &pw_rhod) +void ModuleIO::write_libxc_r(const int order, + const std::vector& func_id, + const int& nrxx, // number of real-space grid + const double& omega, // volume of cell + const double tpiba, + const Charge& chr, + const ModulePW::PW_Basis_Big& pw_big, + const ModulePW::PW_Basis& pw_rhod) { - ModuleBase::TITLE("ModuleIO","write_libxc_r"); - ModuleBase::timer::tick("ModuleIO","write_libxc_r"); - - const int nspin = - (PARAM.inp.nspin == 1 || ( PARAM.inp.nspin ==4 && !PARAM.globalv.domag && !PARAM.globalv.domag_z)) - ? 1 : 2; - - //---------------------------------------------------------- - // xc_func_type is defined in Libxc package - // to understand the usage of xc_func_type, - // use can check on website, for example: - // https://www.tddft.org/programs/libxc/manual/libxc-5.1.x/ - //---------------------------------------------------------- - - std::vector funcs = XC_Functional_Libxc::init_func( func_id, (1==nspin) ? XC_UNPOLARIZED:XC_POLARIZED ); - - const bool is_gga = [&funcs]() - { - for( xc_func_type &func : funcs ) - { - switch( func.info->family ) - { - case XC_FAMILY_GGA: - case XC_FAMILY_HYB_GGA: - return true; - } - } - return false; - }(); - - // converting rho - std::vector rho; - std::vector amag; - if(1==nspin || 2==PARAM.inp.nspin) - { - rho = XC_Functional_Libxc::convert_rho(nspin, nrxx, &chr); - } - else - { - std::tuple,std::vector> rho_amag = XC_Functional_Libxc::convert_rho_amag_nspin4(nspin, nrxx, &chr); - rho = std::get<0>(std::move(rho_amag)); - amag = std::get<1>(std::move(rho_amag)); - } - - std::vector sigma; - if(is_gga) - { - const std::vector>> gdr = XC_Functional_Libxc::cal_gdr(nspin, nrxx, rho, tpiba, &chr); - sigma = XC_Functional_Libxc::convert_sigma(gdr); - } - - std::vector exc; - std::vector vrho; - std::vector vsigma; - std::vector v2rho2; - std::vector v2rhosigma; - std::vector v2sigma2; - std::vector v3rho3; - std::vector v3rho2sigma; - std::vector v3rhosigma2; - std::vector v3sigma3; - std::vector v4rho4; - std::vector v4rho3sigma; - std::vector v4rho2sigma2; - std::vector v4rhosigma3; - std::vector v4sigma4; - // attention: order 4321 don't break - switch( order ) - { - case 4: v4rho4.resize( nrxx * ((1==nspin)?1:5) ); - case 3: v3rho3.resize( nrxx * ((1==nspin)?1:4) ); - case 2: v2rho2.resize( nrxx * ((1==nspin)?1:3) ); - case 1: vrho .resize( nrxx * nspin ); - case 0: exc .resize( nrxx ); - break; - default: throw std::domain_error("order ="+std::to_string(order) - +" unfinished in "+std::string(__FILE__)+" line "+std::to_string(__LINE__)); - break; - } - if(is_gga) - { - switch( order ) - { - case 4: v4rho3sigma .resize( nrxx * ((1==nspin)?1:12) ); - v4rho2sigma2.resize( nrxx * ((1==nspin)?1:15) ); - v4rhosigma3 .resize( nrxx * ((1==nspin)?1:20) ); - v4sigma4 .resize( nrxx * ((1==nspin)?1:15) ); - case 3: v3rho2sigma .resize( nrxx * ((1==nspin)?1:9) ); - v3rhosigma2 .resize( nrxx * ((1==nspin)?1:12) ); - v3sigma3 .resize( nrxx * ((1==nspin)?1:10) ); - case 2: v2rhosigma .resize( nrxx * ((1==nspin)?1:6) ); - v2sigma2 .resize( nrxx * ((1==nspin)?1:6) ); - case 1: vsigma .resize( nrxx * ((1==nspin)?1:3) ); - case 0: break; - default: throw std::domain_error("order ="+std::to_string(order) - +" unfinished in "+std::string(__FILE__)+" line "+std::to_string(__LINE__)); - break; - } - } - - for( xc_func_type &func : funcs ) - { - // jiyy add for threshold - constexpr double rho_threshold = 1E-6; - constexpr double grho_threshold = 1E-10; - - xc_func_set_dens_threshold(&func, rho_threshold); - - // sgn for threshold mask - const std::vector sgn = XC_Functional_Libxc::cal_sgn(rho_threshold, grho_threshold, func, nspin, nrxx, rho, sigma); - - // call libxc function - // attention: order 432 don't break - switch( func.info->family ) - { - case XC_FAMILY_LDA: - { - switch( order ) - { - case 4: xc_lda_lxc ( &func, nrxx, rho.data(), v4rho4.data() ); - case 3: xc_lda_kxc ( &func, nrxx, rho.data(), v3rho3.data() ); - case 2: xc_lda_fxc ( &func, nrxx, rho.data(), v2rho2.data() ); - case 1: xc_lda_exc_vxc( &func, nrxx, rho.data(), exc.data(), vrho.data() ); - break; - case 0: xc_lda_exc ( &func, nrxx, rho.data(), exc.data() ); - break; - default: throw std::domain_error("order ="+std::to_string(order) - +" unfinished in "+std::string(__FILE__)+" line "+std::to_string(__LINE__)); - break; - } - break; - } - case XC_FAMILY_GGA: - case XC_FAMILY_HYB_GGA: - { - switch( order ) - { - case 4: xc_gga_lxc ( &func, nrxx, rho.data(), sigma.data(), v4rho4.data(), v4rho3sigma.data(), v4rho2sigma2.data(), v4rhosigma3.data(), v4sigma4.data() ); - case 3: xc_gga_kxc ( &func, nrxx, rho.data(), sigma.data(), v3rho3.data(), v3rho2sigma.data(), v3rhosigma2.data(), v3sigma3.data() ); - case 2: xc_gga_fxc ( &func, nrxx, rho.data(), sigma.data(), v2rho2.data(), v2rhosigma.data(), v2sigma2.data() ); - case 1: xc_gga_exc_vxc( &func, nrxx, rho.data(), sigma.data(), exc.data(), vrho.data(), vsigma.data() ); - break; - case 0: xc_gga_exc ( &func, nrxx, rho.data(), sigma.data(), exc.data() ); - break; - default: throw std::domain_error("order ="+std::to_string(order) - +" unfinished in "+std::string(__FILE__)+" line "+std::to_string(__LINE__)); - break; - } - break; - } - default: - { - throw std::domain_error("func.info->family ="+std::to_string(func.info->family) - +" unfinished in "+std::string(__FILE__)+" line "+std::to_string(__LINE__)); - break; - } - } // end switch( func.info->family ) - } // end for( xc_func_type &func : funcs ) - - auto write_data = [&pw_big, &pw_rhod]( - const std::string data_name, - const std::vector &data, - const int number_spin) - { - for(int is=0; is funcs + = XC_Functional_Libxc::init_func(func_id, (1 == nspin) ? XC_UNPOLARIZED : XC_POLARIZED); + + const bool is_gga = [&funcs]() { + for (xc_func_type& func: funcs) + { + switch (func.info->family) + { + case XC_FAMILY_GGA: + case XC_FAMILY_HYB_GGA: + return true; + } + } + return false; + }(); + + // converting rho + std::vector rho; + std::vector amag; + if (1 == nspin || 2 == PARAM.inp.nspin) + { + rho = XC_Functional_Libxc::convert_rho(nspin, nrxx, &chr); + } + else + { + std::tuple, std::vector> rho_amag + = XC_Functional_Libxc::convert_rho_amag_nspin4(nspin, nrxx, &chr); + rho = std::get<0>(std::move(rho_amag)); + amag = std::get<1>(std::move(rho_amag)); + } + + std::vector sigma; + if (is_gga) + { + const std::vector>> gdr + = XC_Functional_Libxc::cal_gdr(nspin, nrxx, rho, tpiba, &chr); + sigma = XC_Functional_Libxc::convert_sigma(gdr); + } + + std::vector exc; + std::vector vrho; + std::vector vsigma; + std::vector v2rho2; + std::vector v2rhosigma; + std::vector v2sigma2; + std::vector v3rho3; + std::vector v3rho2sigma; + std::vector v3rhosigma2; + std::vector v3sigma3; + std::vector v4rho4; + std::vector v4rho3sigma; + std::vector v4rho2sigma2; + std::vector v4rhosigma3; + std::vector v4sigma4; + // attention: order 4321 don't break + switch (order) + { + case 4: + v4rho4.resize(nrxx * ((1 == nspin) ? 1 : 5)); + case 3: + v3rho3.resize(nrxx * ((1 == nspin) ? 1 : 4)); + case 2: + v2rho2.resize(nrxx * ((1 == nspin) ? 1 : 3)); + case 1: + vrho.resize(nrxx * nspin); + case 0: + exc.resize(nrxx); + break; + default: + throw std::domain_error("order =" + std::to_string(order) + " unfinished in " + std::string(__FILE__) + " line " + + std::to_string(__LINE__)); + break; + } + if (is_gga) + { + switch (order) + { + case 4: + v4rho3sigma.resize(nrxx * ((1 == nspin) ? 1 : 12)); + v4rho2sigma2.resize(nrxx * ((1 == nspin) ? 1 : 15)); + v4rhosigma3.resize(nrxx * ((1 == nspin) ? 1 : 20)); + v4sigma4.resize(nrxx * ((1 == nspin) ? 1 : 15)); + case 3: + v3rho2sigma.resize(nrxx * ((1 == nspin) ? 1 : 9)); + v3rhosigma2.resize(nrxx * ((1 == nspin) ? 1 : 12)); + v3sigma3.resize(nrxx * ((1 == nspin) ? 1 : 10)); + case 2: + v2rhosigma.resize(nrxx * ((1 == nspin) ? 1 : 6)); + v2sigma2.resize(nrxx * ((1 == nspin) ? 1 : 6)); + case 1: + vsigma.resize(nrxx * ((1 == nspin) ? 1 : 3)); + case 0: + break; + default: + throw std::domain_error("order =" + std::to_string(order) + " unfinished in " + std::string(__FILE__) + + " line " + std::to_string(__LINE__)); + break; + } + } + + for (xc_func_type& func: funcs) + { + // jiyy add for threshold + constexpr double rho_threshold = 1E-6; + constexpr double grho_threshold = 1E-10; + + xc_func_set_dens_threshold(&func, rho_threshold); + + // sgn for threshold mask + const std::vector sgn + = XC_Functional_Libxc::cal_sgn(rho_threshold, grho_threshold, func, nspin, nrxx, rho, sigma); + + // call libxc function + // attention: order 432 don't break + switch (func.info->family) + { + case XC_FAMILY_LDA: { + switch (order) + { + case 4: + xc_lda_lxc(&func, nrxx, rho.data(), v4rho4.data()); + case 3: + xc_lda_kxc(&func, nrxx, rho.data(), v3rho3.data()); + case 2: + xc_lda_fxc(&func, nrxx, rho.data(), v2rho2.data()); + case 1: + xc_lda_exc_vxc(&func, nrxx, rho.data(), exc.data(), vrho.data()); + break; + case 0: + xc_lda_exc(&func, nrxx, rho.data(), exc.data()); + break; + default: + throw std::domain_error("order =" + std::to_string(order) + " unfinished in " + std::string(__FILE__) + + " line " + std::to_string(__LINE__)); + break; + } + break; + } + case XC_FAMILY_GGA: + case XC_FAMILY_HYB_GGA: { + switch (order) + { + case 4: + xc_gga_lxc(&func, + nrxx, + rho.data(), + sigma.data(), + v4rho4.data(), + v4rho3sigma.data(), + v4rho2sigma2.data(), + v4rhosigma3.data(), + v4sigma4.data()); + case 3: + xc_gga_kxc(&func, + nrxx, + rho.data(), + sigma.data(), + v3rho3.data(), + v3rho2sigma.data(), + v3rhosigma2.data(), + v3sigma3.data()); + case 2: + xc_gga_fxc(&func, nrxx, rho.data(), sigma.data(), v2rho2.data(), v2rhosigma.data(), v2sigma2.data()); + case 1: + xc_gga_exc_vxc(&func, nrxx, rho.data(), sigma.data(), exc.data(), vrho.data(), vsigma.data()); + break; + case 0: + xc_gga_exc(&func, nrxx, rho.data(), sigma.data(), exc.data()); + break; + default: + throw std::domain_error("order =" + std::to_string(order) + " unfinished in " + std::string(__FILE__) + + " line " + std::to_string(__LINE__)); + break; + } + break; + } + default: { + throw std::domain_error("func.info->family =" + std::to_string(func.info->family) + " unfinished in " + + std::string(__FILE__) + " line " + std::to_string(__LINE__)); + break; + } + } // end switch( func.info->family ) + } // end for( xc_func_type &func : funcs ) + + auto write_data + = [&pw_big, &pw_rhod](const std::string data_name, const std::vector& data, const int number_spin) { + for (int is = 0; is < number_spin; ++is) + { + std::ofstream ofs; + if (GlobalV::MY_RANK == 0) + { + const std::string file_name + = PARAM.globalv.global_out_dir + "xc_" + data_name + "_s" + std::to_string(is + 1) + ".cube"; + ofs.open(file_name); + + ofs.unsetf(std::ostream::fixed); + ofs << std::setprecision(PARAM.inp.out_xc_r[1]); + ofs << std::scientific; + } +#ifdef __MPI + ModuleIO::write_cube_core(ofs, + pw_big.bz, + pw_big.nbz, + pw_rhod.nplane * number_spin, + pw_rhod.startz_current, + data.data() + is, + pw_rhod.nx * pw_rhod.ny, + pw_rhod.nz, + number_spin, + pw_rhod.nz); +#else + if (nspin != 1) + { + throw std::invalid_argument("nspin=" + std::to_string(nspin) + + " is invalid for ModuleIO::write_cube_core without MPI. see " + + std + : string(__FILE__) + " line " + std::to_string(__LINE__)); + } + ModuleIO::write_cube_core(ofs, data.data() + is, pw_rhod.nx * pw_rhod.ny, pw_rhod.nz, pw_rhod.nz); +#endif + } + }; + + write_data("rho", rho, nspin); + + if (1 != nspin && 2 != PARAM.inp.nspin) + write_data("amag", amag, 1); + + if (is_gga) + write_data("sigma", sigma, (1 == nspin) ? 1 : 3); + + switch (order) + { + case 4: + write_data("v4rho4", v4rho4, (1 == nspin) ? 1 : 5); + case 3: + write_data("v3rho3", v3rho3, (1 == nspin) ? 1 : 4); + case 2: + write_data("v2rho2", v2rho2, (1 == nspin) ? 1 : 3); + case 1: + write_data("vrho", vrho, nspin); + case 0: + write_data("exc", exc, 1); + break; + default: + throw std::domain_error("order =" + std::to_string(order) + " unfinished in " + std::string(__FILE__) + " line " + + std::to_string(__LINE__)); + break; + } + if (is_gga) + { + switch (order) + { + case 4: + write_data("v4rho3sigma", v4rho3sigma, (1 == nspin) ? 1 : 12); + write_data("v4rho2sigma2", v4rho2sigma2, (1 == nspin) ? 1 : 15); + write_data("v4rhosigma3", v4rhosigma3, (1 == nspin) ? 1 : 20); + write_data("v4sigma4", v4sigma4, (1 == nspin) ? 1 : 15); + case 3: + write_data("v3rho2sigma", v3rho2sigma, (1 == nspin) ? 1 : 9); + write_data("v3rhosigma2", v3rhosigma2, (1 == nspin) ? 1 : 12); + write_data("v3sigma3", v3sigma3, (1 == nspin) ? 1 : 10); + case 2: + write_data("v2rhosigma", v2rhosigma, (1 == nspin) ? 1 : 6); + write_data("v2sigma2", v2sigma2, (1 == nspin) ? 1 : 6); + case 1: + write_data("vsigma", vsigma, (1 == nspin) ? 1 : 3); + case 0: + break; + default: + throw std::domain_error("order =" + std::to_string(order) + " unfinished in " + std::string(__FILE__) + + " line " + std::to_string(__LINE__)); + break; + } + } + + XC_Functional_Libxc::finish_func(funcs); + + ModuleBase::timer::tick("ModuleIO", "write_libxc_r"); +} #ifdef __MPI -void ModuleIO::write_cube_core( - std::ofstream &ofs_cube, - const int bz, - const int nbz, - const int nplane, - const int startz_current, - const double*const data, - const int nxy, - const int nz, - const int nld, - const int n_data_newline) +void ModuleIO::write_cube_core(std::ofstream& ofs_cube, + const int bz, + const int nbz, + const int nplane, + const int startz_current, + const double* const data, + const int nxy, + const int nz, + const int nld, + const int n_data_newline) { - ModuleBase::TITLE("ModuleIO", "write_cube_core"); - - const int my_rank = GlobalV::MY_RANK; - const int my_pool = GlobalV::MY_POOL; - const int rank_in_pool = GlobalV::RANK_IN_POOL; - const int nproc_in_pool = GlobalV::NPROC_IN_POOL; - - // only do in the first pool. - if (my_pool == 0) - { - /// for cube file - const int nxyz = nxy * nz; - std::vector data_cube(nxyz, 0.0); - - // num_z: how many planes on processor 'ip' - std::vector num_z(nproc_in_pool, 0); - for (int iz = 0; iz < nbz; iz++) - { - const int ip = iz % nproc_in_pool; - num_z[ip] += bz; - } - - // start_z: start position of z in - // processor ip. - std::vector start_z(nproc_in_pool, 0); - for (int ip = 1; ip < nproc_in_pool; ip++) - { - start_z[ip] = start_z[ip - 1] + num_z[ip - 1]; - } - - // which_ip: found iz belongs to which ip. - std::vector which_ip(nz, 0); - for (int iz = 0; iz < nz; iz++) - { - for (int ip = 0; ip < nproc_in_pool; ip++) - { - if (iz >= start_z[nproc_in_pool - 1]) - { - which_ip[iz] = nproc_in_pool - 1; - break; - } - else if (iz >= start_z[ip] && iz < start_z[ip + 1]) - { - which_ip[iz] = ip; - break; - } - } - } - - int count = 0; - std::vector zpiece(nxy, 0.0); - - // save the rho one z by one z. - for (int iz = 0; iz < nz; iz++) - { - zpiece.assign(nxy, 0.0); - - // tag must be different for different iz. - const int tag = iz; - MPI_Status ierror; - - // case 1: the first part of rho in processor 0. - if (which_ip[iz] == 0 && rank_in_pool == 0) - { - for (int ixy = 0; ixy < nxy; ixy++) - { - // mohan change to rho_save on 2012-02-10 - // because this can make our next restart calculation lead - // to the same scf_thr as the one saved. - zpiece[ixy] = data[ixy * nplane + (iz - startz_current) * nld]; - } - } - // case 2: > first part rho: send the rho to - // processor 0. - else if (which_ip[iz] == rank_in_pool) - { - for (int ixy = 0; ixy < nxy; ixy++) - { - zpiece[ixy] = data[ixy * nplane + (iz - startz_current) * nld]; - } - MPI_Send(zpiece.data(), nxy, MPI_DOUBLE, 0, tag, POOL_WORLD); - } - - // case 2: > first part rho: processor 0 receive the rho - // from other processors - else if (rank_in_pool == 0) - { - MPI_Recv(zpiece.data(), nxy, MPI_DOUBLE, which_ip[iz], tag, POOL_WORLD, &ierror); - } - - if (my_rank == 0) - { - /// for cube file - for (int ixy = 0; ixy < nxy; ixy++) - { - data_cube[ixy * nz + iz] = zpiece[ixy]; - } - /// for cube file - } - } // end iz - - // for cube file - if (my_rank == 0) - { - for (int ixy = 0; ixy < nxy; ixy++) - { - for (int iz = 0; iz < nz; iz++) - { - ofs_cube << " " << data_cube[ixy * nz + iz]; - if ((iz % n_data_newline == n_data_newline-1) && (iz != nz - 1)) - { - ofs_cube << "\n"; - } - } - ofs_cube << "\n"; - } - } - /// for cube file - } - MPI_Barrier(MPI_COMM_WORLD); + ModuleBase::TITLE("ModuleIO", "write_cube_core"); + + const int my_rank = GlobalV::MY_RANK; + const int my_pool = GlobalV::MY_POOL; + const int rank_in_pool = GlobalV::RANK_IN_POOL; + const int nproc_in_pool = GlobalV::NPROC_IN_POOL; + + // only do in the first pool. + if (my_pool == 0) + { + /// for cube file + const int nxyz = nxy * nz; + std::vector data_cube(nxyz, 0.0); + + // num_z: how many planes on processor 'ip' + std::vector num_z(nproc_in_pool, 0); + for (int iz = 0; iz < nbz; iz++) + { + const int ip = iz % nproc_in_pool; + num_z[ip] += bz; + } + + // start_z: start position of z in + // processor ip. + std::vector start_z(nproc_in_pool, 0); + for (int ip = 1; ip < nproc_in_pool; ip++) + { + start_z[ip] = start_z[ip - 1] + num_z[ip - 1]; + } + + // which_ip: found iz belongs to which ip. + std::vector which_ip(nz, 0); + for (int iz = 0; iz < nz; iz++) + { + for (int ip = 0; ip < nproc_in_pool; ip++) + { + if (iz >= start_z[nproc_in_pool - 1]) + { + which_ip[iz] = nproc_in_pool - 1; + break; + } + else if (iz >= start_z[ip] && iz < start_z[ip + 1]) + { + which_ip[iz] = ip; + break; + } + } + } + + int count = 0; + std::vector zpiece(nxy, 0.0); + + // save the rho one z by one z. + for (int iz = 0; iz < nz; iz++) + { + zpiece.assign(nxy, 0.0); + + // tag must be different for different iz. + const int tag = iz; + MPI_Status ierror; + + // case 1: the first part of rho in processor 0. + if (which_ip[iz] == 0 && rank_in_pool == 0) + { + for (int ixy = 0; ixy < nxy; ixy++) + { + // mohan change to rho_save on 2012-02-10 + // because this can make our next restart calculation lead + // to the same scf_thr as the one saved. + zpiece[ixy] = data[ixy * nplane + (iz - startz_current) * nld]; + } + } + // case 2: > first part rho: send the rho to + // processor 0. + else if (which_ip[iz] == rank_in_pool) + { + for (int ixy = 0; ixy < nxy; ixy++) + { + zpiece[ixy] = data[ixy * nplane + (iz - startz_current) * nld]; + } + MPI_Send(zpiece.data(), nxy, MPI_DOUBLE, 0, tag, POOL_WORLD); + } + + // case 2: > first part rho: processor 0 receive the rho + // from other processors + else if (rank_in_pool == 0) + { + MPI_Recv(zpiece.data(), nxy, MPI_DOUBLE, which_ip[iz], tag, POOL_WORLD, &ierror); + } + + if (my_rank == 0) + { + /// for cube file + for (int ixy = 0; ixy < nxy; ixy++) + { + data_cube[ixy * nz + iz] = zpiece[ixy]; + } + /// for cube file + } + } // end iz + + // for cube file + if (my_rank == 0) + { + for (int ixy = 0; ixy < nxy; ixy++) + { + for (int iz = 0; iz < nz; iz++) + { + ofs_cube << " " << data_cube[ixy * nz + iz]; + if ((iz % n_data_newline == n_data_newline - 1) && (iz != nz - 1)) + { + ofs_cube << "\n"; + } + } + ofs_cube << "\n"; + } + } + /// for cube file + } + MPI_Barrier(MPI_COMM_WORLD); } -#else // #ifdef __MPI +#else // #ifdef __MPI -void ModuleIO::write_cube_core( - std::ofstream &ofs_cube, - const double*const data, - const int nxy, - const int nz, - const int n_data_newline) +void ModuleIO::write_cube_core(std::ofstream& ofs_cube, + const double* const data, + const int nxy, + const int nz, + const int n_data_newline) { - ModuleBase::TITLE("ModuleIO", "write_cube_core"); - for (int ixy = 0; ixy < nxy; ixy++) - { - for (int iz = 0; iz < nz; iz++) - { - ofs_cube << " " << data[iz * nxy + ixy]; - // ++count_cube; - if ((iz % n_data_newline == n_data_newline-1) && (iz != nz - 1)) - { - ofs_cube << "\n"; - } - } - ofs_cube << "\n"; - } + ModuleBase::TITLE("ModuleIO", "write_cube_core"); + for (int ixy = 0; ixy < nxy; ixy++) + { + for (int iz = 0; iz < nz; iz++) + { + ofs_cube << " " << data[iz * nxy + ixy]; + // ++count_cube; + if ((iz % n_data_newline == n_data_newline - 1) && (iz != nz - 1)) + { + ofs_cube << "\n"; + } + } + ofs_cube << "\n"; + } } -#endif // #ifdef __MPI +#endif // #ifdef __MPI #endif // USE_LIBXC \ No newline at end of file diff --git a/source/module_io/write_orb_info.cpp b/source/module_io/write_orb_info.cpp index 399a6f426b..48ede9452b 100644 --- a/source/module_io/write_orb_info.cpp +++ b/source/module_io/write_orb_info.cpp @@ -1,7 +1,7 @@ #include "write_orb_info.h" #include "module_parameter/parameter.h" -#include "module_base/name_angular.h" +#include "source_base/name_angular.h" #include "module_cell/atom_spec.h" void ModuleIO::write_orb_info(const UnitCell* ucell) diff --git a/source/module_io/write_pao.cpp b/source/module_io/write_pao.cpp index 5e1a30e79a..f145263a03 100644 --- a/source/module_io/write_pao.cpp +++ b/source/module_io/write_pao.cpp @@ -1,5 +1,5 @@ #include "write_pao.h" -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" #include "module_parameter/parameter.h" #include diff --git a/source/module_io/write_proj_band_lcao.cpp b/source/module_io/write_proj_band_lcao.cpp index c08c301477..a2efb276c7 100644 --- a/source/module_io/write_proj_band_lcao.cpp +++ b/source/module_io/write_proj_band_lcao.cpp @@ -1,10 +1,10 @@ #include "write_proj_band_lcao.h" #include "module_parameter/parameter.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/scalapack_connector.h" -#include "module_base/timer.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/scalapack_connector.h" +#include "source_base/timer.h" #include "module_cell/module_neighbor/sltk_atom_arrange.h" #include "write_orb_info.h" #include "module_hamilt_lcao/hamilt_lcaodft/hamilt_lcao.h" diff --git a/source/module_io/write_vxc.hpp b/source/module_io/write_vxc.hpp index db4a576f12..d4de7fd7a0 100644 --- a/source/module_io/write_vxc.hpp +++ b/source/module_io/write_vxc.hpp @@ -1,9 +1,9 @@ #ifndef __WRITE_VXC_H_ #define __WRITE_VXC_H_ #include "module_parameter/parameter.h" -#include "module_base/parallel_reduce.h" -#include "module_base/module_container/base/third_party/blas.h" -#include "module_base/scalapack_connector.h" +#include "source_base/parallel_reduce.h" +#include "source_base/module_container/base/third_party/blas.h" +#include "source_base/scalapack_connector.h" #include "module_hamilt_lcao/hamilt_lcaodft/operator_lcao/op_dftu_lcao.h" #include "module_hamilt_lcao/hamilt_lcaodft/operator_lcao/veff_lcao.h" #include "module_psi/psi.h" diff --git a/source/module_io/write_vxc_lip.hpp b/source/module_io/write_vxc_lip.hpp index 9f146e6506..288c470be0 100644 --- a/source/module_io/write_vxc_lip.hpp +++ b/source/module_io/write_vxc_lip.hpp @@ -1,8 +1,8 @@ #ifndef __WRITE_VXC_LIP_H_ #define __WRITE_VXC_LIP_H_ #include "module_parameter/parameter.h" -#include "module_base/parallel_reduce.h" -#include "module_base/module_container/base/third_party/blas.h" +#include "source_base/parallel_reduce.h" +#include "source_base/module_container/base/third_party/blas.h" #include "module_hamilt_pw/hamilt_pwdft/operator_pw/veff_pw.h" #include "module_psi/psi.h" #include "module_cell/unitcell.h" diff --git a/source/module_io/write_vxc_r.hpp b/source/module_io/write_vxc_r.hpp index 2986648415..29cef9e588 100644 --- a/source/module_io/write_vxc_r.hpp +++ b/source/module_io/write_vxc_r.hpp @@ -1,7 +1,7 @@ #ifndef __WRITE_VXC_R_H_ #define __WRITE_VXC_R_H_ #include "module_parameter/parameter.h" -#include "module_base/scalapack_connector.h" +#include "source_base/scalapack_connector.h" #include "module_hamilt_lcao/hamilt_lcaodft/operator_lcao/op_dftu_lcao.h" #include "module_hamilt_lcao/hamilt_lcaodft/operator_lcao/veff_lcao.h" #include "module_hamilt_lcao/hamilt_lcaodft/spar_hsr.h" diff --git a/source/module_io/write_wfc_nao.cpp b/source/module_io/write_wfc_nao.cpp index 0857924d1a..162a280b13 100644 --- a/source/module_io/write_wfc_nao.cpp +++ b/source/module_io/write_wfc_nao.cpp @@ -1,13 +1,13 @@ #include "write_wfc_nao.h" #include "module_parameter/parameter.h" -#include "module_base/memory.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" -#include "module_base/parallel_2d.h" -#include "module_base/scalapack_connector.h" -#include "module_base/global_variable.h" -#include "module_base/global_function.h" +#include "source_base/memory.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" +#include "source_base/parallel_2d.h" +#include "source_base/scalapack_connector.h" +#include "source_base/global_variable.h" +#include "source_base/global_function.h" #include "binstream.h" #include "filename.h" diff --git a/source/module_io/write_wfc_nao.h b/source/module_io/write_wfc_nao.h index 4c8a5138ab..10960b63b0 100644 --- a/source/module_io/write_wfc_nao.h +++ b/source/module_io/write_wfc_nao.h @@ -1,9 +1,9 @@ #ifndef WRITE_WFC_NAO_H #define WRITE_WFC_NAO_H -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "module_basis/module_ao/parallel_orbitals.h" #include "module_psi/psi.h" -#include "module_base/vector3.h" +#include "source_base/vector3.h" #include namespace ModuleIO diff --git a/source/module_io/write_wfc_pw.cpp b/source/module_io/write_wfc_pw.cpp index 2f63f850e7..31e52d8f01 100644 --- a/source/module_io/write_wfc_pw.cpp +++ b/source/module_io/write_wfc_pw.cpp @@ -5,9 +5,9 @@ #endif #include "binstream.h" -#include "module_base/global_variable.h" -#include "module_base/parallel_global.h" -#include "module_base/tool_title.h" +#include "source_base/global_variable.h" +#include "source_base/parallel_global.h" +#include "source_base/tool_title.h" #include "module_parameter/parameter.h" #include "module_io/filename.h" diff --git a/source/module_io/write_wfc_r.cpp b/source/module_io/write_wfc_r.cpp index 0eb5c0a25e..1a52e581b9 100644 --- a/source/module_io/write_wfc_r.cpp +++ b/source/module_io/write_wfc_r.cpp @@ -9,8 +9,8 @@ // Taoni add 2024-10-08 //====================== -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "write_wfc_r.h" diff --git a/source/module_io/write_wfc_r.h b/source/module_io/write_wfc_r.h index 3ec5b1913f..f09bf84764 100644 --- a/source/module_io/write_wfc_r.h +++ b/source/module_io/write_wfc_r.h @@ -9,8 +9,8 @@ #include #include -#include "module_base/complexmatrix.h" -#include "module_base/vector3.h" +#include "source_base/complexmatrix.h" +#include "source_base/vector3.h" #include "module_basis/module_pw/pw_basis_k.h" #include "module_cell/klist.h" #include "module_psi/psi.h" diff --git a/source/module_lr/ao_to_mo_transformer/ao_to_mo.h b/source/module_lr/ao_to_mo_transformer/ao_to_mo.h index 23d42271d8..e8fd50ab04 100644 --- a/source/module_lr/ao_to_mo_transformer/ao_to_mo.h +++ b/source/module_lr/ao_to_mo_transformer/ao_to_mo.h @@ -3,7 +3,7 @@ #include "module_psi/psi.h" #include #ifdef __MPI -#include "module_base/parallel_2d.h" +#include "source_base/parallel_2d.h" #endif namespace LR { diff --git a/source/module_lr/ao_to_mo_transformer/ao_to_mo_parallel.cpp b/source/module_lr/ao_to_mo_transformer/ao_to_mo_parallel.cpp index 2cadd4ac0c..2740664858 100644 --- a/source/module_lr/ao_to_mo_transformer/ao_to_mo_parallel.cpp +++ b/source/module_lr/ao_to_mo_transformer/ao_to_mo_parallel.cpp @@ -1,7 +1,7 @@ #ifdef __MPI #include "ao_to_mo.h" -#include "module_base/scalapack_connector.h" -#include "module_base/tool_title.h" +#include "source_base/scalapack_connector.h" +#include "source_base/tool_title.h" #include "module_lr/utils/lr_util.h" #include "module_lr/utils/lr_util_print.h" namespace LR diff --git a/source/module_lr/ao_to_mo_transformer/ao_to_mo_serial.cpp b/source/module_lr/ao_to_mo_transformer/ao_to_mo_serial.cpp index 04573381a7..7d9185733a 100644 --- a/source/module_lr/ao_to_mo_transformer/ao_to_mo_serial.cpp +++ b/source/module_lr/ao_to_mo_transformer/ao_to_mo_serial.cpp @@ -1,6 +1,6 @@ #include "ao_to_mo.h" -#include "module_base/blas_connector.h" -#include "module_base/tool_title.h" +#include "source_base/blas_connector.h" +#include "source_base/tool_title.h" #include "module_lr/utils/lr_util.h" namespace LR { diff --git a/source/module_lr/dm_trans/dm_trans.h b/source/module_lr/dm_trans/dm_trans.h index a02f2999d0..e905306fad 100644 --- a/source/module_lr/dm_trans/dm_trans.h +++ b/source/module_lr/dm_trans/dm_trans.h @@ -4,7 +4,7 @@ #include "module_psi/psi.h" #include #ifdef __MPI -#include "module_base/parallel_2d.h" +#include "source_base/parallel_2d.h" #endif namespace LR { diff --git a/source/module_lr/dm_trans/dm_trans_parallel.cpp b/source/module_lr/dm_trans/dm_trans_parallel.cpp index 861a8f8ceb..a6b3ec70fe 100644 --- a/source/module_lr/dm_trans/dm_trans_parallel.cpp +++ b/source/module_lr/dm_trans/dm_trans_parallel.cpp @@ -1,7 +1,7 @@ #ifdef __MPI #include "dm_trans.h" -#include "module_base/scalapack_connector.h" -#include "module_base/tool_title.h" +#include "source_base/scalapack_connector.h" +#include "source_base/tool_title.h" #include "module_lr/utils/lr_util.h" namespace LR { diff --git a/source/module_lr/dm_trans/dm_trans_serial.cpp b/source/module_lr/dm_trans/dm_trans_serial.cpp index cf3571bfc3..398fa234fb 100644 --- a/source/module_lr/dm_trans/dm_trans_serial.cpp +++ b/source/module_lr/dm_trans/dm_trans_serial.cpp @@ -1,7 +1,7 @@ #include "dm_trans.h" -#include "module_base/blas_connector.h" -#include "module_base/tool_title.h" -#include "module_base/global_function.h" +#include "source_base/blas_connector.h" +#include "source_base/tool_title.h" +#include "source_base/global_function.h" #include "module_lr/utils/lr_util.h" namespace LR { diff --git a/source/module_lr/dm_trans/dmr_complex.cpp b/source/module_lr/dm_trans/dmr_complex.cpp index d5dc550bb1..c3331c391e 100644 --- a/source/module_lr/dm_trans/dmr_complex.cpp +++ b/source/module_lr/dm_trans/dmr_complex.cpp @@ -1,7 +1,7 @@ #include "module_elecstate/module_dm/density_matrix.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_parameter/parameter.h" -#include "module_base/libm/libm.h" +#include "source_base/libm/libm.h" namespace elecstate { template<> diff --git a/source/module_lr/dm_trans/test/CMakeLists.txt b/source/module_lr/dm_trans/test/CMakeLists.txt index 6a3535b7ed..87c0e7c870 100644 --- a/source/module_lr/dm_trans/test/CMakeLists.txt +++ b/source/module_lr/dm_trans/test/CMakeLists.txt @@ -3,12 +3,12 @@ AddTest( TARGET dm_trans_test LIBS parameter psi base ${math_libs} device container SOURCES dm_trans_test.cpp ../../utils/lr_util.cpp ../dm_trans_parallel.cpp ../dm_trans_serial.cpp - # ../../../module_base/module_container/ATen/core/tensor.cpp - # ../../../module_base/module_container/ATen/core/tensor_shape.cpp - # ../../../module_base/module_container/ATen/core/tensor_buffer.cpp - # ../../../module_base/module_container/ATen/core/tensor_map.cpp - # ../../../module_base/module_container/ATen/core/tensor_types.cpp - # ../../../module_base/module_container/base/core/cpu_allocator.cpp - # ../../../module_base/module_container/base/core/refcount.cpp - # ../../../module_base/module_container/ATen/kernels/memory_impl.cpp + # ../../../source_base/module_container/ATen/core/tensor.cpp + # ../../../source_base/module_container/ATen/core/tensor_shape.cpp + # ../../../source_base/module_container/ATen/core/tensor_buffer.cpp + # ../../../source_base/module_container/ATen/core/tensor_map.cpp + # ../../../source_base/module_container/ATen/core/tensor_types.cpp + # ../../../source_base/module_container/base/core/cpu_allocator.cpp + # ../../../source_base/module_container/base/core/refcount.cpp + # ../../../source_base/module_container/ATen/kernels/memory_impl.cpp ) \ No newline at end of file diff --git a/source/module_lr/esolver_lrtd_lcao.cpp b/source/module_lr/esolver_lrtd_lcao.cpp index 88df295962..fa20c3daa5 100644 --- a/source/module_lr/esolver_lrtd_lcao.cpp +++ b/source/module_lr/esolver_lrtd_lcao.cpp @@ -13,7 +13,7 @@ #include "module_io/print_info.h" #include "module_cell/module_neighbor/sltk_atom_arrange.h" #include "module_lr/utils/lr_util_print.h" -#include "module_base/scalapack_connector.h" +#include "source_base/scalapack_connector.h" #include "module_parameter/parameter.h" #include "module_lr/ri_benchmark/ri_benchmark.h" #include "module_lr/operator_casida/operator_lr_diag.h" // for precondition diff --git a/source/module_lr/hsolver_lrtd.hpp b/source/module_lr/hsolver_lrtd.hpp index c04b7e385a..20a0c1c8f3 100644 --- a/source/module_lr/hsolver_lrtd.hpp +++ b/source/module_lr/hsolver_lrtd.hpp @@ -7,7 +7,7 @@ #include "source_hsolver/diago_cg.h" #include "module_lr/utils/lr_util.h" #include "module_lr/utils/lr_util_print.h" -#include "module_base/module_container/ATen/core/tensor_map.h" +#include "source_base/module_container/ATen/core/tensor_map.h" namespace LR { diff --git a/source/module_lr/lr_spectrum.cpp b/source/module_lr/lr_spectrum.cpp index d787718eff..d2fb10ab02 100644 --- a/source/module_lr/lr_spectrum.cpp +++ b/source/module_lr/lr_spectrum.cpp @@ -2,7 +2,7 @@ #include "module_lr/utils/lr_util.h" #include "module_parameter/parameter.h" #include "module_lr/dm_trans/dm_trans.h" -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_reduce.h" #include "module_lr/utils/lr_util.h" #include "module_lr/utils/lr_util_hcontainer.h" #include "module_lr/utils/lr_util_print.h" diff --git a/source/module_lr/operator_casida/operator_lr_diag.h b/source/module_lr/operator_casida/operator_lr_diag.h index 3f28e2b9d8..b5017eb08b 100644 --- a/source/module_lr/operator_casida/operator_lr_diag.h +++ b/source/module_lr/operator_casida/operator_lr_diag.h @@ -1,9 +1,9 @@ #pragma once #include "module_lr/utils/lr_util.h" -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/kernels/math_kernel_op.h" #include "module_hamilt_general/operator.h" #ifdef __MPI -#include "module_base/parallel_common.h" +#include "source_base/parallel_common.h" #endif namespace LR { diff --git a/source/module_lr/operator_casida/operator_lr_hxc.cpp b/source/module_lr/operator_casida/operator_lr_hxc.cpp index ed55c7c0c7..afb929685b 100644 --- a/source/module_lr/operator_casida/operator_lr_hxc.cpp +++ b/source/module_lr/operator_casida/operator_lr_hxc.cpp @@ -1,8 +1,8 @@ #include "operator_lr_hxc.h" #include #include "module_parameter/parameter.h" -#include "module_base/blas_connector.h" -#include "module_base/timer.h" +#include "source_base/blas_connector.h" +#include "source_base/timer.h" #include "module_lr/utils/lr_util.h" #include "module_lr/utils/lr_util_hcontainer.h" #include "module_lr/utils/lr_util_print.h" diff --git a/source/module_lr/potentials/pot_hxc_lrtd.cpp b/source/module_lr/potentials/pot_hxc_lrtd.cpp index d5aa2628ff..bdf08b852e 100644 --- a/source/module_lr/potentials/pot_hxc_lrtd.cpp +++ b/source/module_lr/potentials/pot_hxc_lrtd.cpp @@ -1,7 +1,7 @@ #include "pot_hxc_lrtd.h" #include "module_parameter/parameter.h" #include "module_elecstate/module_pot/H_Hartree_pw.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_hamilt_general/module_xc/xc_functional.h" #include #include "module_lr/utils/lr_util.h" diff --git a/source/module_lr/potentials/xc_kernel.cpp b/source/module_lr/potentials/xc_kernel.cpp index 1c7bd09809..e5dfcef3fb 100644 --- a/source/module_lr/potentials/xc_kernel.cpp +++ b/source/module_lr/potentials/xc_kernel.cpp @@ -1,7 +1,7 @@ #include "xc_kernel.h" #include "module_hamilt_general/module_xc/xc_functional.h" #include "module_parameter/parameter.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_lr/utils/lr_util.h" #include "module_lr/utils/lr_util_xc.hpp" #include diff --git a/source/module_lr/ri_benchmark/ri_benchmark.hpp b/source/module_lr/ri_benchmark/ri_benchmark.hpp index 82ab9249ac..501e3cf5f3 100644 --- a/source/module_lr/ri_benchmark/ri_benchmark.hpp +++ b/source/module_lr/ri_benchmark/ri_benchmark.hpp @@ -1,6 +1,6 @@ #pragma once #include "ri_benchmark.h" -#include "module_base/module_container/base/third_party/blas.h" +#include "source_base/module_container/base/third_party/blas.h" namespace RI_Benchmark { // std::cout << "the size of Cs:" << std::endl; diff --git a/source/module_lr/utils/lr_util.cpp b/source/module_lr/utils/lr_util.cpp index ceb9501e0a..d1591c6a34 100644 --- a/source/module_lr/utils/lr_util.cpp +++ b/source/module_lr/utils/lr_util.cpp @@ -1,7 +1,7 @@ -#include "module_base/constants.h" +#include "source_base/constants.h" #include "lr_util.h" -#include "module_base/lapack_connector.h" -#include "module_base/scalapack_connector.h" +#include "source_base/lapack_connector.h" +#include "source_base/scalapack_connector.h" namespace LR_Util { /// =================PHYSICS==================== diff --git a/source/module_lr/utils/lr_util.h b/source/module_lr/utils/lr_util.h index 3dafe2dd0a..4095e5cefd 100644 --- a/source/module_lr/utils/lr_util.h +++ b/source/module_lr/utils/lr_util.h @@ -2,9 +2,9 @@ #include #include #include -#include "module_base/matrix.h" -#include "module_base/complexmatrix.h" -#include "module_base/parallel_2d.h" +#include "source_base/matrix.h" +#include "source_base/complexmatrix.h" +#include "source_base/parallel_2d.h" #include "module_psi/psi.h" #include #include "module_basis/module_pw/pw_basis.h" diff --git a/source/module_lr/utils/lr_util.hpp b/source/module_lr/utils/lr_util.hpp index 5bbedf645f..b599a1a3cd 100644 --- a/source/module_lr/utils/lr_util.hpp +++ b/source/module_lr/utils/lr_util.hpp @@ -3,7 +3,7 @@ #include "lr_util.h" #include #include "module_cell/unitcell.h" -#include "module_base/constants.h" +#include "source_base/constants.h" #include "module_hamilt_general/module_xc/xc_functional.h" namespace LR_Util { diff --git a/source/module_lr/utils/lr_util_hcontainer.h b/source/module_lr/utils/lr_util_hcontainer.h index 8937d9d733..c98b031de7 100644 --- a/source/module_lr/utils/lr_util_hcontainer.h +++ b/source/module_lr/utils/lr_util_hcontainer.h @@ -1,7 +1,7 @@ #pragma once #include "module_elecstate/module_dm/density_matrix.h" #include -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_reduce.h" namespace LR_Util { template diff --git a/source/module_md/fire.cpp b/source/module_md/fire.cpp index 7c638d6f4a..4a58d004b2 100644 --- a/source/module_md/fire.cpp +++ b/source/module_md/fire.cpp @@ -4,7 +4,7 @@ #ifdef __MPI #include "mpi.h" #endif -#include "module_base/timer.h" +#include "source_base/timer.h" FIRE::FIRE(const Parameter& param_in, UnitCell& unit_in) : MD_base(param_in, unit_in) { diff --git a/source/module_md/langevin.cpp b/source/module_md/langevin.cpp index 5dcae66616..6b7f1d6be8 100644 --- a/source/module_md/langevin.cpp +++ b/source/module_md/langevin.cpp @@ -1,8 +1,8 @@ #include "langevin.h" #include "md_func.h" -#include "module_base/parallel_common.h" -#include "module_base/timer.h" +#include "source_base/parallel_common.h" +#include "source_base/timer.h" Langevin::Langevin(const Parameter& param_in, UnitCell& unit_in) : MD_base(param_in, unit_in) { diff --git a/source/module_md/md_func.cpp b/source/module_md/md_func.cpp index c8c971c5ab..a02235fc1c 100644 --- a/source/module_md/md_func.cpp +++ b/source/module_md/md_func.cpp @@ -1,7 +1,7 @@ #include "md_func.h" -#include "module_base/global_variable.h" -#include "module_base/timer.h" +#include "source_base/global_variable.h" +#include "source_base/timer.h" namespace MD_func diff --git a/source/module_md/msst.cpp b/source/module_md/msst.cpp index 3ff8c7c6f9..c055b31371 100644 --- a/source/module_md/msst.cpp +++ b/source/module_md/msst.cpp @@ -5,7 +5,7 @@ #ifdef __MPI #include "mpi.h" #endif -#include "module_base/timer.h" +#include "source_base/timer.h" MSST::MSST(const Parameter& param_in, UnitCell& unit_in) : MD_base(param_in, unit_in) { diff --git a/source/module_md/nhchain.cpp b/source/module_md/nhchain.cpp index db4662f44c..ae200aa239 100644 --- a/source/module_md/nhchain.cpp +++ b/source/module_md/nhchain.cpp @@ -4,7 +4,7 @@ #ifdef __MPI #include "mpi.h" #endif -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_cell/update_cell.h" Nose_Hoover::Nose_Hoover(const Parameter& param_in, UnitCell& unit_in) : MD_base(param_in, unit_in) { diff --git a/source/module_md/run_md.cpp b/source/module_md/run_md.cpp index 5009c3dd67..dc083c603b 100644 --- a/source/module_md/run_md.cpp +++ b/source/module_md/run_md.cpp @@ -4,8 +4,8 @@ #include "fire.h" #include "langevin.h" #include "md_func.h" -#include "module_base/global_file.h" -#include "module_base/timer.h" +#include "source_base/global_file.h" +#include "source_base/timer.h" #include "module_io/print_info.h" #include "msst.h" #include "nhchain.h" diff --git a/source/module_md/test/CMakeLists.txt b/source/module_md/test/CMakeLists.txt index 70ba640b81..3224e2abde 100644 --- a/source/module_md/test/CMakeLists.txt +++ b/source/module_md/test/CMakeLists.txt @@ -19,27 +19,27 @@ list(APPEND depend_files ../../module_cell/read_pp_upf201.cpp ../../module_cell/read_pp_vwr.cpp ../../module_cell/read_pp_blps.cpp - ../../module_base/matrix3.cpp - ../../module_base/matrix.cpp - ../../module_base/timer.cpp - ../../module_base/blas_connector_base.cpp - ../../module_base/blas_connector_matrix.cpp - ../../module_base/blas_connector_vector.cpp - ../../module_base/memory.cpp - ../../module_base/global_variable.cpp - ../../module_base/global_function.cpp - ../../module_base/global_file.cpp - ../../module_base/tool_title.cpp - ../../module_base/tool_check.cpp - ../../module_base/tool_quit.cpp - ../../module_base/intarray.cpp - ../../module_base/realarray.cpp - ../../module_base/complexarray.cpp - ../../module_base/complexmatrix.cpp - ../../module_base/global_variable.cpp - ../../module_base/libm/branred.cpp - ../../module_base/libm/sincos.cpp - ../../module_base/math_integral.cpp + ../../source_base/matrix3.cpp + ../../source_base/matrix.cpp + ../../source_base/timer.cpp + ../../source_base/blas_connector_base.cpp + ../../source_base/blas_connector_matrix.cpp + ../../source_base/blas_connector_vector.cpp + ../../source_base/memory.cpp + ../../source_base/global_variable.cpp + ../../source_base/global_function.cpp + ../../source_base/global_file.cpp + ../../source_base/tool_title.cpp + ../../source_base/tool_check.cpp + ../../source_base/tool_quit.cpp + ../../source_base/intarray.cpp + ../../source_base/realarray.cpp + ../../source_base/complexarray.cpp + ../../source_base/complexmatrix.cpp + ../../source_base/global_variable.cpp + ../../source_base/libm/branred.cpp + ../../source_base/libm/sincos.cpp + ../../source_base/math_integral.cpp ../../module_cell/module_neighbor/sltk_atom_arrange.cpp ../../module_cell/module_neighbor/sltk_atom.cpp ../../module_cell/module_neighbor/sltk_grid.cpp @@ -49,9 +49,9 @@ list(APPEND depend_files ../../module_io/print_info.cpp ../../module_io/cif_io.cpp ../../source_esolver/esolver_lj.cpp - ../../module_base/parallel_reduce.cpp - ../../module_base/parallel_global.cpp - ../../module_base/parallel_comm.cpp + ../../source_base/parallel_reduce.cpp + ../../source_base/parallel_global.cpp + ../../source_base/parallel_comm.cpp ../../module_elecstate/read_pseudo.cpp ../../module_elecstate/cal_wfc.cpp ../../module_elecstate/cal_nelec_nband.cpp diff --git a/source/module_md/verlet.cpp b/source/module_md/verlet.cpp index 2eec7a0e20..3eafb181e1 100644 --- a/source/module_md/verlet.cpp +++ b/source/module_md/verlet.cpp @@ -1,7 +1,7 @@ #include "verlet.h" #include "md_func.h" -#include "module_base/timer.h" +#include "source_base/timer.h" Verlet::Verlet(const Parameter& param_in, UnitCell& unit_in) : MD_base(param_in, unit_in) { diff --git a/source/module_parameter/input_parameter.h b/source/module_parameter/input_parameter.h index 548e7da575..d44de8e739 100644 --- a/source/module_parameter/input_parameter.h +++ b/source/module_parameter/input_parameter.h @@ -1,7 +1,7 @@ #ifndef INPUT_PARAMETER_H #define INPUT_PARAMETER_H #include "md_parameter.h" -#include "module_base/vector3.h" +#include "source_base/vector3.h" #include #include diff --git a/source/module_psi/psi.cpp b/source/module_psi/psi.cpp index 6fb18f3ee9..bf25e4593a 100644 --- a/source/module_psi/psi.cpp +++ b/source/module_psi/psi.cpp @@ -1,8 +1,8 @@ #include "psi.h" -#include "module_base/global_variable.h" -#include "module_base/module_device/device.h" -#include "module_base/tool_quit.h" +#include "source_base/global_variable.h" +#include "source_base/module_device/device.h" +#include "source_base/tool_quit.h" #include "module_parameter/parameter.h" #include diff --git a/source/module_psi/psi.h b/source/module_psi/psi.h index 6ba0a33720..17354ba2f8 100644 --- a/source/module_psi/psi.h +++ b/source/module_psi/psi.h @@ -1,8 +1,8 @@ #ifndef PSI_H #define PSI_H -#include "module_base/module_device/memory_op.h" -#include "module_base/module_device/types.h" +#include "source_base/module_device/memory_op.h" +#include "source_base/module_device/types.h" #include #include diff --git a/source/module_psi/psi_init.cpp b/source/module_psi/psi_init.cpp index 38c3b4c5d0..9ce688fbf1 100644 --- a/source/module_psi/psi_init.cpp +++ b/source/module_psi/psi_init.cpp @@ -1,10 +1,10 @@ #include "psi_init.h" -#include "module_base/macros.h" -#include "module_base/memory.h" -#include "module_base/parallel_device.h" -#include "module_base/timer.h" -#include "module_base/tool_quit.h" +#include "source_base/macros.h" +#include "source_base/memory.h" +#include "source_base/parallel_device.h" +#include "source_base/timer.h" +#include "source_base/tool_quit.h" #include "source_hsolver/diago_iter_assist.h" #include "module_parameter/parameter.h" #include "module_psi/psi_initializer_atomic.h" diff --git a/source/module_psi/psi_initializer.cpp b/source/module_psi/psi_initializer.cpp index 03b25c0f79..bdc0239851 100644 --- a/source/module_psi/psi_initializer.cpp +++ b/source/module_psi/psi_initializer.cpp @@ -1,15 +1,15 @@ #include "psi_initializer.h" -#include "module_base/memory.h" +#include "source_base/memory.h" // basic functions support -#include "module_base/timer.h" -#include "module_base/tool_quit.h" +#include "source_base/timer.h" +#include "source_base/tool_quit.h" // three global variables definition -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" #include "module_parameter/parameter.h" #ifdef __MPI -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_reduce.h" #endif template diff --git a/source/module_psi/psi_initializer.h b/source/module_psi/psi_initializer.h index e54ff9d3ff..3a80c84ea3 100644 --- a/source/module_psi/psi_initializer.h +++ b/source/module_psi/psi_initializer.h @@ -8,12 +8,12 @@ // smart pointer for auto-memory management #include // numerical algorithm support -#include "module_base/spherical_bessel_transformer.h" // for spherical bessel transform +#include "source_base/spherical_bessel_transformer.h" // for spherical bessel transform #ifdef __MPI #include #endif -#include "module_base/macros.h" -#include "module_base/parallel_global.h" +#include "source_base/macros.h" +#include "source_base/parallel_global.h" #include "module_cell/klist.h" #include diff --git a/source/module_psi/psi_initializer_atomic.cpp b/source/module_psi/psi_initializer_atomic.cpp index 224836806b..242a16eb71 100644 --- a/source/module_psi/psi_initializer_atomic.cpp +++ b/source/module_psi/psi_initializer_atomic.cpp @@ -1,15 +1,15 @@ #include "psi_initializer_atomic.h" #include "module_hamilt_pw/hamilt_pwdft/soc.h" // numerical algorithm support -#include "module_base/math_integral.h" // for numerical integration -#include "module_base/math_polyint.h" // for polynomial interpolation -#include "module_base/math_ylmreal.h" // for real spherical harmonics -#include "module_base/math_sphbes.h" // for spherical bessel functions +#include "source_base/math_integral.h" // for numerical integration +#include "source_base/math_polyint.h" // for polynomial interpolation +#include "source_base/math_ylmreal.h" // for real spherical harmonics +#include "source_base/math_sphbes.h" // for spherical bessel functions // basic functions support -#include "module_base/tool_quit.h" -#include "module_base/timer.h" +#include "source_base/tool_quit.h" +#include "source_base/timer.h" // global variables definition -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" #include "module_parameter/parameter.h" // io support #include "module_io/write_pao.h" diff --git a/source/module_psi/psi_initializer_atomic.h b/source/module_psi/psi_initializer_atomic.h index 402e63af59..65ca8f015a 100644 --- a/source/module_psi/psi_initializer_atomic.h +++ b/source/module_psi/psi_initializer_atomic.h @@ -1,6 +1,6 @@ #ifndef PSI_INITIALIZER_ATOMIC_H #define PSI_INITIALIZER_ATOMIC_H -#include "module_base/realarray.h" +#include "source_base/realarray.h" #include "psi_initializer.h" /* diff --git a/source/module_psi/psi_initializer_file.cpp b/source/module_psi/psi_initializer_file.cpp index d1378e1cd7..d2c3b14e80 100644 --- a/source/module_psi/psi_initializer_file.cpp +++ b/source/module_psi/psi_initializer_file.cpp @@ -1,6 +1,6 @@ #include "psi_initializer_file.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_cell/klist.h" #include "module_io/read_wfc_pw.h" #include "module_io/filename.h" diff --git a/source/module_psi/psi_initializer_nao.cpp b/source/module_psi/psi_initializer_nao.cpp index e88c759cba..63a8aae9ee 100644 --- a/source/module_psi/psi_initializer_nao.cpp +++ b/source/module_psi/psi_initializer_nao.cpp @@ -2,19 +2,19 @@ #include // numerical algorithm support -#include "module_base/math_integral.h" // for numerical integration +#include "source_base/math_integral.h" // for numerical integration // numerical algorithm support -#include "module_base/math_polyint.h" // for polynomial interpolation -#include "module_base/math_ylmreal.h" // for real spherical harmonics +#include "source_base/math_polyint.h" // for polynomial interpolation +#include "source_base/math_ylmreal.h" // for real spherical harmonics // basic functions support -#include "module_base/timer.h" -#include "module_base/tool_quit.h" +#include "source_base/timer.h" +#include "source_base/tool_quit.h" // three global variables definition -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" // parallel communication #ifdef __MPI -#include "module_base/parallel_common.h" -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_common.h" +#include "source_base/parallel_reduce.h" #endif #include "module_io/orb_io.h" #include "module_parameter/parameter.h" diff --git a/source/module_psi/psi_initializer_nao.h b/source/module_psi/psi_initializer_nao.h index c9ba087ed6..b6ab4df303 100644 --- a/source/module_psi/psi_initializer_nao.h +++ b/source/module_psi/psi_initializer_nao.h @@ -1,7 +1,7 @@ #ifndef PSI_INITIALIZER_NAO_H #define PSI_INITIALIZER_NAO_H -#include "module_base/cubic_spline.h" -#include "module_base/realarray.h" +#include "source_base/cubic_spline.h" +#include "source_base/realarray.h" #include "psi_initializer.h" #include diff --git a/source/module_psi/psi_initializer_random.cpp b/source/module_psi/psi_initializer_random.cpp index e781f32dfb..6e9bb37984 100644 --- a/source/module_psi/psi_initializer_random.cpp +++ b/source/module_psi/psi_initializer_random.cpp @@ -2,8 +2,8 @@ #ifdef __MPI #include #endif -#include "module_base/parallel_global.h" -#include "module_base/timer.h" +#include "source_base/parallel_global.h" +#include "source_base/timer.h" #include "module_cell/parallel_kpoints.h" #include "module_parameter/parameter.h" diff --git a/source/module_rdmft/rdmft.cpp b/source/module_rdmft/rdmft.cpp index 3649c0fa26..9d320f67db 100644 --- a/source/module_rdmft/rdmft.cpp +++ b/source/module_rdmft/rdmft.cpp @@ -5,9 +5,9 @@ #include "rdmft.h" #include "module_rdmft/rdmft_tools.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_reduce.h" #include "module_cell/module_symmetry/symmetry.h" diff --git a/source/module_rdmft/rdmft.h b/source/module_rdmft/rdmft.h index bc02480637..e5ee72d9c4 100644 --- a/source/module_rdmft/rdmft.h +++ b/source/module_rdmft/rdmft.h @@ -8,9 +8,9 @@ #include "module_parameter/parameter.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_psi/psi.h" -#include "module_base/matrix.h" +#include "source_base/matrix.h" -#include "module_base/parallel_2d.h" +#include "source_base/parallel_2d.h" #include "module_basis/module_ao/parallel_orbitals.h" #include "module_cell/unitcell.h" #include "module_hamilt_lcao/module_gint/gint_gamma.h" diff --git a/source/module_rdmft/rdmft_tools.cpp b/source/module_rdmft/rdmft_tools.cpp index 5b43b0cbab..d9fa7cf2e0 100644 --- a/source/module_rdmft/rdmft_tools.cpp +++ b/source/module_rdmft/rdmft_tools.cpp @@ -5,8 +5,8 @@ #include "module_rdmft/rdmft_tools.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" // used by class Veff_rdmft -#include "module_base/tool_title.h" -#include "module_base/timer.h" +#include "source_base/tool_title.h" +#include "source_base/timer.h" #include "module_hamilt_general/module_xc/xc_functional.h" #include "module_elecstate/module_pot/H_Hartree_pw.h" #include "module_elecstate/module_pot/pot_local.h" diff --git a/source/module_rdmft/rdmft_tools.h b/source/module_rdmft/rdmft_tools.h index a18e436c47..0033af12d7 100644 --- a/source/module_rdmft/rdmft_tools.h +++ b/source/module_rdmft/rdmft_tools.h @@ -6,17 +6,17 @@ #define RDMFT_TOOLS_H #include "module_psi/psi.h" -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" #include "module_cell/unitcell.h" #include "module_hamilt_lcao/module_gint/gint_gamma.h" #include "module_hamilt_lcao/module_gint/gint_k.h" #include "module_elecstate/module_pot/potential_new.h" -#include "module_base/blas_connector.h" -#include "module_base/scalapack_connector.h" -#include "module_base/parallel_2d.h" +#include "source_base/blas_connector.h" +#include "source_base/scalapack_connector.h" +#include "source_base/parallel_2d.h" #include "module_basis/module_ao/parallel_orbitals.h" -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_reduce.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_elecstate/module_dm/cal_dm_psi.h" #include "module_elecstate/module_dm/density_matrix.h" diff --git a/source/module_relax/relax_driver.cpp b/source/module_relax/relax_driver.cpp index ec7500d921..8aba32505a 100644 --- a/source/module_relax/relax_driver.cpp +++ b/source/module_relax/relax_driver.cpp @@ -1,6 +1,6 @@ #include "relax_driver.h" -#include "module_base/global_file.h" +#include "source_base/global_file.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" // use chr. #include "module_io/cif_io.h" #include "module_io/json_output/output_info.h" diff --git a/source/module_relax/relax_new/relax.cpp b/source/module_relax/relax_new/relax.cpp index 5e563322d9..dea665000f 100644 --- a/source/module_relax/relax_new/relax.cpp +++ b/source/module_relax/relax_new/relax.cpp @@ -1,9 +1,9 @@ #include "relax.h" -#include "module_base/matrix3.h" -#include "module_base/parallel_common.h" -#include "module_base/tool_title.h" +#include "source_base/matrix3.h" +#include "source_base/parallel_common.h" +#include "source_base/tool_title.h" #include "module_cell/update_cell.h" #include "module_cell/print_cell.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/module_relax/relax_new/relax.h b/source/module_relax/relax_new/relax.h index 11bd7fdf90..cf37bfd336 100644 --- a/source/module_relax/relax_new/relax.h +++ b/source/module_relax/relax_new/relax.h @@ -4,8 +4,8 @@ #define RELAX1_H #include "line_search.h" -#include "module_base/matrix.h" -#include "module_base/matrix3.h" +#include "source_base/matrix.h" +#include "source_base/matrix3.h" #include "module_cell/unitcell.h" class Relax diff --git a/source/module_relax/relax_new/test/CMakeLists.txt b/source/module_relax/relax_new/test/CMakeLists.txt index f4e0ee1fba..92f40893bb 100644 --- a/source/module_relax/relax_new/test/CMakeLists.txt +++ b/source/module_relax/relax_new/test/CMakeLists.txt @@ -9,16 +9,16 @@ install(DIRECTORY support DESTINATION ${CMAKE_CURRENT_BINARY_DIR}) AddTest( TARGET relax_new_line_search LIBS parameter - SOURCES line_search_test.cpp ../line_search.cpp ../../../module_base/global_variable.cpp ../../../module_base/global_file.cpp ../../../module_base/global_function.cpp ../../../module_base/memory.cpp ../../../module_base/timer.cpp ../../../module_base/tool_quit.cpp + SOURCES line_search_test.cpp ../line_search.cpp ../../../source_base/global_variable.cpp ../../../source_base/global_file.cpp ../../../source_base/global_function.cpp ../../../source_base/memory.cpp ../../../source_base/timer.cpp ../../../source_base/tool_quit.cpp ) AddTest( TARGET relax_new_relax - SOURCES relax_test.cpp ../relax.cpp ../line_search.cpp ../../../module_base/tool_quit.cpp ../../../module_base/global_variable.cpp ../../../module_base/global_file.cpp ../../../module_base/memory.cpp ../../../module_base/timer.cpp - ../../../module_base/matrix3.cpp ../../../module_base/intarray.cpp ../../../module_base/tool_title.cpp - ../../../module_base/global_function.cpp ../../../module_base/complexmatrix.cpp ../../../module_base/matrix.cpp - ../../../module_base/complexarray.cpp ../../../module_base/tool_quit.cpp ../../../module_base/realarray.cpp - ../../../module_base/blas_connector_base.cpp ../../../module_base/blas_connector_vector.cpp ../../../module_base/blas_connector_matrix.cpp + SOURCES relax_test.cpp ../relax.cpp ../line_search.cpp ../../../source_base/tool_quit.cpp ../../../source_base/global_variable.cpp ../../../source_base/global_file.cpp ../../../source_base/memory.cpp ../../../source_base/timer.cpp + ../../../source_base/matrix3.cpp ../../../source_base/intarray.cpp ../../../source_base/tool_title.cpp + ../../../source_base/global_function.cpp ../../../source_base/complexmatrix.cpp ../../../source_base/matrix.cpp + ../../../source_base/complexarray.cpp ../../../source_base/tool_quit.cpp ../../../source_base/realarray.cpp + ../../../source_base/blas_connector_base.cpp ../../../source_base/blas_connector_vector.cpp ../../../source_base/blas_connector_matrix.cpp ../../../module_cell/update_cell.cpp ../../../module_cell/print_cell.cpp ../../../module_cell/bcast_cell.cpp ../../../module_io/output.cpp LIBS parameter ${math_libs} ) diff --git a/source/module_relax/relax_old/bfgs.cpp b/source/module_relax/relax_old/bfgs.cpp index 2b1be16e13..42a637c287 100644 --- a/source/module_relax/relax_old/bfgs.cpp +++ b/source/module_relax/relax_old/bfgs.cpp @@ -1,6 +1,6 @@ #include "bfgs.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" -#include "module_base/matrix3.h" +#include "source_base/matrix3.h" #include "module_parameter/parameter.h" #include "ions_move_basic.h" #include "module_cell/update_cell.h" diff --git a/source/module_relax/relax_old/bfgs.h b/source/module_relax/relax_old/bfgs.h index d1771dbca7..aff05ccc8b 100644 --- a/source/module_relax/relax_old/bfgs.h +++ b/source/module_relax/relax_old/bfgs.h @@ -5,9 +5,9 @@ #include #include #include -#include"module_base/lapack_connector.h" -#include "module_base/matrix.h" -#include "module_base/matrix3.h" +#include"source_base/lapack_connector.h" +#include "source_base/matrix.h" +#include "source_base/matrix3.h" #include "module_cell/unitcell.h" #include "matrix_methods.h" diff --git a/source/module_relax/relax_old/bfgs_basic.cpp b/source/module_relax/relax_old/bfgs_basic.cpp index 90a2d39b1c..1ef6fd7753 100644 --- a/source/module_relax/relax_old/bfgs_basic.cpp +++ b/source/module_relax/relax_old/bfgs_basic.cpp @@ -2,8 +2,8 @@ #include "module_parameter/parameter.h" #include "ions_move_basic.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" #include using namespace Ions_Move_Basic; diff --git a/source/module_relax/relax_old/bfgs_basic.h b/source/module_relax/relax_old/bfgs_basic.h index 2e0a130a37..0e795afe38 100644 --- a/source/module_relax/relax_old/bfgs_basic.h +++ b/source/module_relax/relax_old/bfgs_basic.h @@ -1,7 +1,7 @@ #ifndef BFGS_BASIC #define BFGS_BASIC -#include "module_base/matrix.h" +#include "source_base/matrix.h" // references // 1) Roger Fletcher, Practical Methods of Optimization, John Wiley and diff --git a/source/module_relax/relax_old/ions_move_basic.cpp b/source/module_relax/relax_old/ions_move_basic.cpp index a8dabe5743..d88a83343c 100644 --- a/source/module_relax/relax_old/ions_move_basic.cpp +++ b/source/module_relax/relax_old/ions_move_basic.cpp @@ -1,8 +1,8 @@ #include "ions_move_basic.h" #include "module_parameter/parameter.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" #include "module_cell/update_cell.h" #include "module_cell/print_cell.h" int Ions_Move_Basic::dim = 0; diff --git a/source/module_relax/relax_old/ions_move_basic.h b/source/module_relax/relax_old/ions_move_basic.h index 9b70117c43..2be561cc27 100644 --- a/source/module_relax/relax_old/ions_move_basic.h +++ b/source/module_relax/relax_old/ions_move_basic.h @@ -1,7 +1,7 @@ #ifndef IONS_MOVE_BASIC_H #define IONS_MOVE_BASIC_H -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "module_cell/unitcell.h" namespace Ions_Move_Basic diff --git a/source/module_relax/relax_old/ions_move_bfgs.cpp b/source/module_relax/relax_old/ions_move_bfgs.cpp index afce2c7588..1afa361eb0 100644 --- a/source/module_relax/relax_old/ions_move_bfgs.cpp +++ b/source/module_relax/relax_old/ions_move_bfgs.cpp @@ -2,8 +2,8 @@ #include "module_parameter/parameter.h" #include "ions_move_basic.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" //============= MAP OF BFGS =========================== // (1) start() -> BFGS_Basic::check_converged() diff --git a/source/module_relax/relax_old/ions_move_bfgs.h b/source/module_relax/relax_old/ions_move_bfgs.h index 42a08a2593..0f5cf9adc2 100644 --- a/source/module_relax/relax_old/ions_move_bfgs.h +++ b/source/module_relax/relax_old/ions_move_bfgs.h @@ -2,7 +2,7 @@ #define IONS_MOVE_BFGS_H #include "bfgs_basic.h" -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "module_cell/unitcell.h" class Ions_Move_BFGS : public BFGS_Basic { diff --git a/source/module_relax/relax_old/ions_move_cg.cpp b/source/module_relax/relax_old/ions_move_cg.cpp index a311757d94..7da54c3831 100644 --- a/source/module_relax/relax_old/ions_move_cg.cpp +++ b/source/module_relax/relax_old/ions_move_cg.cpp @@ -1,8 +1,8 @@ #include "ions_move_cg.h" #include "ions_move_basic.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" using namespace Ions_Move_Basic; double Ions_Move_CG::RELAX_CG_THR = -1.0; // default is 0.5 diff --git a/source/module_relax/relax_old/ions_move_cg.h b/source/module_relax/relax_old/ions_move_cg.h index 59ed3b63c1..5bf764aaae 100644 --- a/source/module_relax/relax_old/ions_move_cg.h +++ b/source/module_relax/relax_old/ions_move_cg.h @@ -1,7 +1,7 @@ #ifndef IONS_MOVE_CG_H #define IONS_MOVE_CG_H -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "module_cell/unitcell.h" class Ions_Move_CG { diff --git a/source/module_relax/relax_old/ions_move_methods.cpp b/source/module_relax/relax_old/ions_move_methods.cpp index 2565a305d4..70a48c6afd 100644 --- a/source/module_relax/relax_old/ions_move_methods.cpp +++ b/source/module_relax/relax_old/ions_move_methods.cpp @@ -1,8 +1,8 @@ #include "ions_move_methods.h" #include "ions_move_basic.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" Ions_Move_Methods::Ions_Move_Methods() diff --git a/source/module_relax/relax_old/ions_move_sd.cpp b/source/module_relax/relax_old/ions_move_sd.cpp index 89e5f9e3cb..03aa208787 100644 --- a/source/module_relax/relax_old/ions_move_sd.cpp +++ b/source/module_relax/relax_old/ions_move_sd.cpp @@ -2,8 +2,8 @@ #include "module_parameter/parameter.h" #include "ions_move_basic.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" #include using namespace Ions_Move_Basic; diff --git a/source/module_relax/relax_old/ions_move_sd.h b/source/module_relax/relax_old/ions_move_sd.h index 260a930610..4fb92f0dda 100644 --- a/source/module_relax/relax_old/ions_move_sd.h +++ b/source/module_relax/relax_old/ions_move_sd.h @@ -1,7 +1,7 @@ #ifndef IONS_MOVE_SD_H #define IONS_MOVE_SD_H -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "module_cell/unitcell.h" class Ions_Move_SD { diff --git a/source/module_relax/relax_old/lattice_change_basic.cpp b/source/module_relax/relax_old/lattice_change_basic.cpp index c145d36ee8..1a0952add1 100644 --- a/source/module_relax/relax_old/lattice_change_basic.cpp +++ b/source/module_relax/relax_old/lattice_change_basic.cpp @@ -1,8 +1,8 @@ #include "lattice_change_basic.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/parallel_common.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/parallel_common.h" #include "module_parameter/parameter.h" int Lattice_Change_Basic::dim = 0; diff --git a/source/module_relax/relax_old/lattice_change_basic.h b/source/module_relax/relax_old/lattice_change_basic.h index 59666e3bbe..0e60515f7a 100644 --- a/source/module_relax/relax_old/lattice_change_basic.h +++ b/source/module_relax/relax_old/lattice_change_basic.h @@ -1,7 +1,7 @@ #ifndef LATTICE_CHANGE_BASIC_H #define LATTICE_CHANGE_BASIC_H -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "module_cell/unitcell.h" namespace Lattice_Change_Basic diff --git a/source/module_relax/relax_old/lattice_change_cg.cpp b/source/module_relax/relax_old/lattice_change_cg.cpp index 5d5af384b6..94a1bf581d 100644 --- a/source/module_relax/relax_old/lattice_change_cg.cpp +++ b/source/module_relax/relax_old/lattice_change_cg.cpp @@ -1,8 +1,8 @@ #include "lattice_change_cg.h" #include "lattice_change_basic.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" // the 'dim' variable is defined in Lattice_Change_Basic using namespace Lattice_Change_Basic; diff --git a/source/module_relax/relax_old/lattice_change_cg.h b/source/module_relax/relax_old/lattice_change_cg.h index bbaa012919..26b32da539 100644 --- a/source/module_relax/relax_old/lattice_change_cg.h +++ b/source/module_relax/relax_old/lattice_change_cg.h @@ -1,7 +1,7 @@ #ifndef LATTICE_CHANGE_CG_H #define LATTICE_CHANGE_CG_H -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "module_cell/unitcell.h" class Lattice_Change_CG { diff --git a/source/module_relax/relax_old/lattice_change_methods.cpp b/source/module_relax/relax_old/lattice_change_methods.cpp index 96c0911811..dadd0b3f23 100644 --- a/source/module_relax/relax_old/lattice_change_methods.cpp +++ b/source/module_relax/relax_old/lattice_change_methods.cpp @@ -1,6 +1,6 @@ #include "lattice_change_methods.h" -#include "module_base/global_function.h" +#include "source_base/global_function.h" Lattice_Change_Methods::Lattice_Change_Methods() { diff --git a/source/module_relax/relax_old/lbfgs.cpp b/source/module_relax/relax_old/lbfgs.cpp index f90870aae3..b36488d80a 100644 --- a/source/module_relax/relax_old/lbfgs.cpp +++ b/source/module_relax/relax_old/lbfgs.cpp @@ -1,6 +1,6 @@ #include "lbfgs.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" -#include "module_base/matrix3.h" +#include "source_base/matrix3.h" #include "module_parameter/parameter.h" #include "ions_move_basic.h" #include "module_cell/update_cell.h" diff --git a/source/module_relax/relax_old/lbfgs.h b/source/module_relax/relax_old/lbfgs.h index aa67ceed9d..2a25efbcae 100644 --- a/source/module_relax/relax_old/lbfgs.h +++ b/source/module_relax/relax_old/lbfgs.h @@ -5,11 +5,11 @@ #include #include #include -#include "module_base/lapack_connector.h" +#include "source_base/lapack_connector.h" #include "matrix_methods.h" //#include "line_search.h" -#include "module_base/matrix.h" -#include "module_base/matrix3.h" +#include "source_base/matrix.h" +#include "source_base/matrix3.h" #include "module_cell/unitcell.h" #include "source_esolver/esolver.h" #include "source_esolver/esolver_ks.h" diff --git a/source/module_relax/relax_old/relax_old.cpp b/source/module_relax/relax_old/relax_old.cpp index 03acac116b..4607eac91f 100644 --- a/source/module_relax/relax_old/relax_old.cpp +++ b/source/module_relax/relax_old/relax_old.cpp @@ -1,7 +1,7 @@ #include "relax_old.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" #include "module_parameter/parameter.h" #include "module_cell/update_cell.h" void Relax_old::init_relax(const int& natom) diff --git a/source/module_relax/relax_old/test/bfgs_test.cpp b/source/module_relax/relax_old/test/bfgs_test.cpp index 397c2daf1d..ae50dc1e48 100644 --- a/source/module_relax/relax_old/test/bfgs_test.cpp +++ b/source/module_relax/relax_old/test/bfgs_test.cpp @@ -2,7 +2,7 @@ #include "for_test.h" #include "module_relax/relax_old/bfgs.h" #include "module_cell/unitcell.h" -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "module_relax/relax_old/ions_move_basic.h" #include "module_relax/relax_old/matrix_methods.h" diff --git a/source/module_ri/ABFs_Construct-PCA.cpp b/source/module_ri/ABFs_Construct-PCA.cpp index 933b8c9804..59b246b7cc 100644 --- a/source/module_ri/ABFs_Construct-PCA.cpp +++ b/source/module_ri/ABFs_Construct-PCA.cpp @@ -1,10 +1,10 @@ #include "ABFs_Construct-PCA.h" #include "exx_abfs-abfs_index.h" -#include "../module_base/lapack_connector.h" -#include "../module_base/global_function.h" -#include "../module_base/element_basis_index.h" -#include "../module_base/matrix.h" +#include "../source_base/lapack_connector.h" +#include "../source_base/global_function.h" +#include "../source_base/element_basis_index.h" +#include "../source_base/matrix.h" #include "../module_ri/Matrix_Orbs11.h" #include "../module_ri/Matrix_Orbs21.h" diff --git a/source/module_ri/Exx_LRI.h b/source/module_ri/Exx_LRI.h index ae53393ee6..63f90150e9 100644 --- a/source/module_ri/Exx_LRI.h +++ b/source/module_ri/Exx_LRI.h @@ -9,7 +9,7 @@ #include "LRI_CV.h" #include "module_hamilt_general/module_xc/exx_info.h" #include "module_basis/module_ao/ORB_atomic_lm.h" -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include #include diff --git a/source/module_ri/Exx_LRI.hpp b/source/module_ri/Exx_LRI.hpp index 46663f0d75..54d401c02e 100644 --- a/source/module_ri/Exx_LRI.hpp +++ b/source/module_ri/Exx_LRI.hpp @@ -13,8 +13,8 @@ #include "module_ri/exx_abfs-construct_orbs.h" #include "module_ri/exx_abfs-io.h" #include "module_ri/conv_coulomb_pot_k.h" -#include "module_base/tool_title.h" -#include "module_base/timer.h" +#include "source_base/tool_title.h" +#include "source_base/timer.h" #include "module_ri/serialization_cereal.h" #include "module_ri/Mix_DMk_2D.h" #include "module_basis/module_ao/parallel_orbitals.h" diff --git a/source/module_ri/Exx_LRI_interface.hpp b/source/module_ri/Exx_LRI_interface.hpp index a7ea139e2b..73a0f8b4b2 100644 --- a/source/module_ri/Exx_LRI_interface.hpp +++ b/source/module_ri/Exx_LRI_interface.hpp @@ -7,8 +7,8 @@ #include "module_ri/exx_opt_orb.h" #include "module_hamilt_lcao/hamilt_lcaodft/hamilt_lcao.h" #include "module_hamilt_lcao/hamilt_lcaodft/operator_lcao/op_exx_lcao.h" -#include "module_base/parallel_common.h" -#include "module_base/formatter.h" +#include "source_base/parallel_common.h" +#include "source_base/formatter.h" #include "module_io/csr_reader.h" #include "module_io/write_HS_sparse.h" diff --git a/source/module_ri/Inverse_Matrix.hpp b/source/module_ri/Inverse_Matrix.hpp index 2778a4a916..f48d23d41c 100644 --- a/source/module_ri/Inverse_Matrix.hpp +++ b/source/module_ri/Inverse_Matrix.hpp @@ -7,7 +7,7 @@ #define INVERSE_MATRIX_HPP #include "Inverse_Matrix.h" -#include "module_base/lapack_connector.h" +#include "source_base/lapack_connector.h" #include diff --git a/source/module_ri/LRI_CV.h b/source/module_ri/LRI_CV.h index 99b52476ea..bfca46208c 100644 --- a/source/module_ri/LRI_CV.h +++ b/source/module_ri/LRI_CV.h @@ -9,8 +9,8 @@ #include "Matrix_Orbs11.h" #include "Matrix_Orbs21.h" #include "module_basis/module_ao/ORB_atomic_lm.h" -#include "module_base/abfs-vector3_order.h" -#include "module_base/element_basis_index.h" +#include "source_base/abfs-vector3_order.h" +#include "source_base/element_basis_index.h" #include #include diff --git a/source/module_ri/LRI_CV.hpp b/source/module_ri/LRI_CV.hpp index 2e4dc71e64..06e2b51685 100644 --- a/source/module_ri/LRI_CV.hpp +++ b/source/module_ri/LRI_CV.hpp @@ -10,8 +10,8 @@ #include "LRI_CV_Tools.h" #include "exx_abfs-abfs_index.h" #include "RI_Util.h" -#include "../module_base/tool_title.h" -#include "../module_base/timer.h" +#include "../source_base/tool_title.h" +#include "../source_base/timer.h" #include "../module_hamilt_pw/hamilt_pwdft/global.h" #include #include diff --git a/source/module_ri/LRI_CV_Tools.h b/source/module_ri/LRI_CV_Tools.h index c97f502516..d66ddbc53f 100644 --- a/source/module_ri/LRI_CV_Tools.h +++ b/source/module_ri/LRI_CV_Tools.h @@ -6,7 +6,7 @@ #ifndef LRI_CV_TOOLS_H #define LRI_CV_TOOLS_H -#include "module_base/abfs-vector3_order.h" +#include "source_base/abfs-vector3_order.h" #include diff --git a/source/module_ri/LRI_CV_Tools.hpp b/source/module_ri/LRI_CV_Tools.hpp index 39087e6641..6e11d620de 100644 --- a/source/module_ri/LRI_CV_Tools.hpp +++ b/source/module_ri/LRI_CV_Tools.hpp @@ -8,7 +8,7 @@ #include "LRI_CV_Tools.h" #include "Inverse_Matrix.h" -#include "../module_base/mathzone.h" +#include "../source_base/mathzone.h" #include "../module_hamilt_pw/hamilt_pwdft/global.h" template diff --git a/source/module_ri/Matrix_Orbs11.cpp b/source/module_ri/Matrix_Orbs11.cpp index 01572cbc8d..8849b565f8 100644 --- a/source/module_ri/Matrix_Orbs11.cpp +++ b/source/module_ri/Matrix_Orbs11.cpp @@ -5,8 +5,8 @@ #include "Matrix_Orbs11.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" void Matrix_Orbs11::init(const int mode, diff --git a/source/module_ri/Matrix_Orbs11.h b/source/module_ri/Matrix_Orbs11.h index b994f93265..7f8bcb2089 100644 --- a/source/module_ri/Matrix_Orbs11.h +++ b/source/module_ri/Matrix_Orbs11.h @@ -6,9 +6,9 @@ #ifndef MATRIX_ORB11_H #define MATRIX_ORB11_H -#include "module_base/element_basis_index.h" -#include "module_base/sph_bessel_recursive.h" -#include "module_base/vector3.h" +#include "source_base/element_basis_index.h" +#include "source_base/sph_bessel_recursive.h" +#include "source_base/vector3.h" #include "module_basis/module_ao/ORB_gaunt_table.h" #include "module_basis/module_ao/ORB_read.h" #include "module_hamilt_lcao/hamilt_lcaodft/center2_orb-orb11.h" diff --git a/source/module_ri/Matrix_Orbs21.cpp b/source/module_ri/Matrix_Orbs21.cpp index 2351d3fde1..50c37e0b0a 100644 --- a/source/module_ri/Matrix_Orbs21.cpp +++ b/source/module_ri/Matrix_Orbs21.cpp @@ -5,8 +5,8 @@ #include "Matrix_Orbs21.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" void Matrix_Orbs21::init(const int mode, diff --git a/source/module_ri/Matrix_Orbs21.h b/source/module_ri/Matrix_Orbs21.h index 1d2895b4b2..77dc4b8201 100644 --- a/source/module_ri/Matrix_Orbs21.h +++ b/source/module_ri/Matrix_Orbs21.h @@ -6,8 +6,8 @@ #ifndef MATRIX_ORB21_H #define MATRIX_ORB21_H -#include "module_base/element_basis_index.h" -#include "module_base/vector3.h" +#include "source_base/element_basis_index.h" +#include "source_base/vector3.h" #include "module_basis/module_ao/ORB_gaunt_table.h" #include "module_basis/module_ao/ORB_read.h" #include "module_hamilt_lcao/hamilt_lcaodft/center2_orb-orb21.h" diff --git a/source/module_ri/Matrix_Orbs22.cpp b/source/module_ri/Matrix_Orbs22.cpp index d2592d5ce5..e001fbf157 100644 --- a/source/module_ri/Matrix_Orbs22.cpp +++ b/source/module_ri/Matrix_Orbs22.cpp @@ -5,8 +5,8 @@ #include "Matrix_Orbs22.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" void Matrix_Orbs22::init(const int mode, diff --git a/source/module_ri/Matrix_Orbs22.h b/source/module_ri/Matrix_Orbs22.h index c3fa5331f8..47b04c9599 100644 --- a/source/module_ri/Matrix_Orbs22.h +++ b/source/module_ri/Matrix_Orbs22.h @@ -6,8 +6,8 @@ #ifndef MATRIX_ORB22_H #define MATRIX_ORB22_H -#include "module_base/element_basis_index.h" -#include "module_base/vector3.h" +#include "source_base/element_basis_index.h" +#include "source_base/vector3.h" #include "module_basis/module_ao/ORB_gaunt_table.h" #include "module_basis/module_ao/ORB_read.h" #include "module_hamilt_lcao/hamilt_lcaodft/center2_orb-orb22.h" diff --git a/source/module_ri/Mix_DMk_2D.cpp b/source/module_ri/Mix_DMk_2D.cpp index 8abd540a14..286075a5d6 100644 --- a/source/module_ri/Mix_DMk_2D.cpp +++ b/source/module_ri/Mix_DMk_2D.cpp @@ -4,7 +4,7 @@ //======================= #include "Mix_DMk_2D.h" -#include "module_base/tool_title.h" +#include "source_base/tool_title.h" Mix_DMk_2D &Mix_DMk_2D::set_nks(const int nks, const bool gamma_only_in) { diff --git a/source/module_ri/Mix_DMk_2D.h b/source/module_ri/Mix_DMk_2D.h index 9d640fa7f1..2f24471d91 100644 --- a/source/module_ri/Mix_DMk_2D.h +++ b/source/module_ri/Mix_DMk_2D.h @@ -7,9 +7,9 @@ #define MIX_DMK_2D_H #include "Mix_Matrix.h" -#include "module_base/module_mixing/mixing.h" -#include "module_base/matrix.h" -#include "module_base/complexmatrix.h" +#include "source_base/module_mixing/mixing.h" +#include "source_base/matrix.h" +#include "source_base/complexmatrix.h" #include diff --git a/source/module_ri/Mix_Matrix.cpp b/source/module_ri/Mix_Matrix.cpp index 21d5b5e3c2..bb7ad3c840 100644 --- a/source/module_ri/Mix_Matrix.cpp +++ b/source/module_ri/Mix_Matrix.cpp @@ -7,9 +7,9 @@ #define MIX_DATA_HPP #include "Mix_Matrix.h" -#include "module_base/matrix.h" -#include "module_base/complexmatrix.h" -#include "module_base/tool_title.h" +#include "source_base/matrix.h" +#include "source_base/complexmatrix.h" +#include "source_base/tool_title.h" template<> void Mix_Matrix::mix(const ModuleBase::matrix& data_in, const bool flag_restart) diff --git a/source/module_ri/Mix_Matrix.h b/source/module_ri/Mix_Matrix.h index 820a6c47f2..fa11bbdb00 100644 --- a/source/module_ri/Mix_Matrix.h +++ b/source/module_ri/Mix_Matrix.h @@ -8,8 +8,8 @@ #include -#include "module_base/module_mixing/mixing.h" -#include "module_base/module_mixing/plain_mixing.h" +#include "source_base/module_mixing/mixing.h" +#include "source_base/module_mixing/plain_mixing.h" template class Mix_Matrix { diff --git a/source/module_ri/RI_2D_Comm.hpp b/source/module_ri/RI_2D_Comm.hpp index f40e6f59d4..4f8e0242fc 100644 --- a/source/module_ri/RI_2D_Comm.hpp +++ b/source/module_ri/RI_2D_Comm.hpp @@ -9,8 +9,8 @@ #include "RI_2D_Comm.h" #include "RI_Util.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" -#include "module_base/tool_title.h" -#include "module_base/timer.h" +#include "source_base/tool_title.h" +#include "source_base/timer.h" #include "module_hamilt_lcao/hamilt_lcaodft/LCAO_domain.h" #include "module_parameter/parameter.h" #include diff --git a/source/module_ri/RI_Util.hpp b/source/module_ri/RI_Util.hpp index c08043fd00..a076d94f66 100644 --- a/source/module_ri/RI_Util.hpp +++ b/source/module_ri/RI_Util.hpp @@ -8,7 +8,7 @@ #include "RI_Util.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" -#include "module_base/global_function.h" +#include "source_base/global_function.h" namespace RI_Util { diff --git a/source/module_ri/RPA_LRI.h b/source/module_ri/RPA_LRI.h index e194a8ea8d..2007715019 100644 --- a/source/module_ri/RPA_LRI.h +++ b/source/module_ri/RPA_LRI.h @@ -10,7 +10,7 @@ #include "LRI_CV.h" // #include "module_xc/exx_info.h" // #include "module_basis/module_ao/ORB_atomic_lm.h" -#include "module_base/matrix.h" +#include "source_base/matrix.h" // #include "module_ri/Exx_LRI.h" // #include #include diff --git a/source/module_ri/abfs.h b/source/module_ri/abfs.h index b6e6694e11..926e514cc3 100644 --- a/source/module_ri/abfs.h +++ b/source/module_ri/abfs.h @@ -1,8 +1,8 @@ #ifndef ABFS_H #define ABFS_H -#include "../module_base/vector3.h" -#include "../module_base/matrix.h" +#include "../source_base/vector3.h" +#include "../source_base/matrix.h" #include "exx_abfs.h" #include diff --git a/source/module_ri/conv_coulomb_pot_k.cpp b/source/module_ri/conv_coulomb_pot_k.cpp index fb77e22d04..29b48e1512 100644 --- a/source/module_ri/conv_coulomb_pot_k.cpp +++ b/source/module_ri/conv_coulomb_pot_k.cpp @@ -1,5 +1,5 @@ #include "conv_coulomb_pot_k.h" -#include "../module_base/constants.h" +#include "../source_base/constants.h" #include "module_parameter/parameter.h" #include "../module_basis/module_ao/ORB_atomic_lm.h" #include "../module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/module_ri/exx_abfs-abfs_index.h b/source/module_ri/exx_abfs-abfs_index.h index 09cc493f2e..1672fa24ec 100644 --- a/source/module_ri/exx_abfs-abfs_index.h +++ b/source/module_ri/exx_abfs-abfs_index.h @@ -4,7 +4,7 @@ #include "exx_abfs.h" #include -#include "../module_base/element_basis_index.h" +#include "../source_base/element_basis_index.h" #include "../module_basis/module_ao/ORB_atomic_lm.h" class LCAO_Orbitals; diff --git a/source/module_ri/exx_abfs-construct_orbs.cpp b/source/module_ri/exx_abfs-construct_orbs.cpp index fe731d7dbd..79a7fcbd54 100644 --- a/source/module_ri/exx_abfs-construct_orbs.cpp +++ b/source/module_ri/exx_abfs-construct_orbs.cpp @@ -2,8 +2,8 @@ #include "module_parameter/parameter.h" #include "ABFs_Construct-PCA.h" -#include "module_base/gram_schmidt_orth-inl.h" -#include "module_base/gram_schmidt_orth.h" +#include "source_base/gram_schmidt_orth-inl.h" +#include "source_base/gram_schmidt_orth.h" #include "module_basis/module_ao/ORB_read.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" //for ucell #include "module_ri/test_code/exx_abfs-construct_orbs-test.h" // Peize Lin test diff --git a/source/module_ri/exx_abfs-io.cpp b/source/module_ri/exx_abfs-io.cpp index 938d2b0238..ac20e5a5d4 100644 --- a/source/module_ri/exx_abfs-io.cpp +++ b/source/module_ri/exx_abfs-io.cpp @@ -7,8 +7,8 @@ #include "exx_abfs-abfs_index.h" #include "../module_hamilt_pw/hamilt_pwdft/global.h" #include "../module_basis/module_ao/ORB_read.h" -#include "../module_base/global_function.h" -#include "../module_base/math_integral.h" // mohan add 2021-04-03 +#include "../source_base/global_function.h" +#include "../source_base/math_integral.h" // mohan add 2021-04-03 std::vector>> Exx_Abfs::IO::construct_abfs( diff --git a/source/module_ri/exx_abfs-io.h b/source/module_ri/exx_abfs-io.h index 15dd9303a3..e273f4b2b7 100644 --- a/source/module_ri/exx_abfs-io.h +++ b/source/module_ri/exx_abfs-io.h @@ -6,8 +6,8 @@ #include #include #include "../module_basis/module_ao/ORB_atomic_lm.h" -#include "../module_base/matrix.h" -#include "../module_base/element_basis_index.h" +#include "../source_base/matrix.h" +#include "../source_base/element_basis_index.h" #include "module_cell/klist.h" #ifdef __MPI #include "mpi.h" diff --git a/source/module_ri/exx_abfs-jle.cpp b/source/module_ri/exx_abfs-jle.cpp index f9086fe777..a04edff334 100644 --- a/source/module_ri/exx_abfs-jle.cpp +++ b/source/module_ri/exx_abfs-jle.cpp @@ -3,9 +3,9 @@ #include "module_parameter/parameter.h" #include "../module_hamilt_pw/hamilt_pwdft/global.h" #include "../module_basis/module_ao/ORB_read.h" -#include "../module_base/global_function.h" -#include "../module_base/mathzone.h" -#include "../module_base/math_sphbes.h" // mohan add 2021-05-06 +#include "../source_base/global_function.h" +#include "../source_base/mathzone.h" +#include "../source_base/math_sphbes.h" // mohan add 2021-05-06 bool Exx_Abfs::Jle::generate_matrix = false; int Exx_Abfs::Jle::Lmax = 2; diff --git a/source/module_ri/exx_abfs.h b/source/module_ri/exx_abfs.h index 845eb3d81b..ec55c0de8c 100644 --- a/source/module_ri/exx_abfs.h +++ b/source/module_ri/exx_abfs.h @@ -8,9 +8,9 @@ using std::map; #include #include "../module_basis/module_ao/ORB_atomic_lm.h" -#include "../module_base/element_basis_index.h" -#include "../module_base/matrix.h" -#include "../module_base/vector3.h" +#include "../source_base/element_basis_index.h" +#include "../source_base/matrix.h" +#include "../source_base/vector3.h" class Exx_Abfs { diff --git a/source/module_ri/exx_lip.h b/source/module_ri/exx_lip.h index 9f19560c10..4ad9c48de4 100644 --- a/source/module_ri/exx_lip.h +++ b/source/module_ri/exx_lip.h @@ -6,8 +6,8 @@ #define EXX_LIP_H #include "module_hamilt_general/module_xc/exx_info.h" -#include "module_base/macros.h" -#include "module_base/matrix.h" +#include "source_base/macros.h" +#include "source_base/matrix.h" #include #include diff --git a/source/module_ri/exx_lip.hpp b/source/module_ri/exx_lip.hpp index 5e26446df4..014320bf86 100644 --- a/source/module_ri/exx_lip.hpp +++ b/source/module_ri/exx_lip.hpp @@ -8,22 +8,22 @@ #define EXX_LIP_HPP #include "exx_lip.h" -#include "module_base/vector3.h" -#include "module_base/global_function.h" -#include "module_base/vector3.h" +#include "source_base/vector3.h" +#include "source_base/global_function.h" +#include "source_base/vector3.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_cell/klist.h" #include "module_hamilt_lcao/hamilt_lcaodft/wavefunc_in_pw.h" -#include "module_base/lapack_connector.h" -#include "module_base/parallel_global.h" +#include "source_base/lapack_connector.h" +#include "source_base/parallel_global.h" #include "module_parameter/parameter.h" #include "module_elecstate/elecstate.h" #include "module_basis/module_pw/pw_basis_k.h" #include "module_cell/module_symmetry/symmetry.h" #include "module_psi/psi_init.h" #include "module_hamilt_pw/hamilt_pwdft/structure_factor.h" -#include "module_base/tool_title.h" -#include "module_base/timer.h" +#include "source_base/tool_title.h" +#include "source_base/timer.h" #include diff --git a/source/module_ri/exx_opt_orb.h b/source/module_ri/exx_opt_orb.h index 2b68dfa40a..4a785f2125 100644 --- a/source/module_ri/exx_opt_orb.h +++ b/source/module_ri/exx_opt_orb.h @@ -1,8 +1,8 @@ #ifndef EXX_OPT_ORB_H #define EXX_OPT_ORB_H -#include "../module_base/matrix.h" -#include "../module_base/element_basis_index.h" +#include "../source_base/matrix.h" +#include "../source_base/element_basis_index.h" #include "module_cell/klist.h" #include "module_basis/module_ao/ORB_read.h" #include diff --git a/source/module_ri/module_exx_symmetry/irreducible_sector.h b/source/module_ri/module_exx_symmetry/irreducible_sector.h index 7a12b9a232..84b2d31909 100644 --- a/source/module_ri/module_exx_symmetry/irreducible_sector.h +++ b/source/module_ri/module_exx_symmetry/irreducible_sector.h @@ -2,8 +2,8 @@ #include #include #include -#include "module_base/abfs-vector3_order.h" -#include "module_base/matrix3.h" +#include "source_base/abfs-vector3_order.h" +#include "source_base/matrix3.h" #include "module_cell/unitcell.h" #include "module_cell/module_symmetry/symmetry.h" #include "module_cell/klist.h" diff --git a/source/module_ri/module_exx_symmetry/symmetry_rotation.cpp b/source/module_ri/module_exx_symmetry/symmetry_rotation.cpp index 27cfc8e723..7bdd28436c 100644 --- a/source/module_ri/module_exx_symmetry/symmetry_rotation.cpp +++ b/source/module_ri/module_exx_symmetry/symmetry_rotation.cpp @@ -1,12 +1,12 @@ #include "symmetry_rotation.h" -#include "module_base/constants.h" +#include "source_base/constants.h" #include "module_parameter/parameter.h" #include -#include "module_base/parallel_reduce.h" -#include "module_base/scalapack_connector.h" -#include "module_base/tool_title.h" -#include "module_base/timer.h" -#include "module_base/mathzone.h" +#include "source_base/parallel_reduce.h" +#include "source_base/scalapack_connector.h" +#include "source_base/tool_title.h" +#include "source_base/timer.h" +#include "source_base/mathzone.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/module_ri/module_exx_symmetry/symmetry_rotation_R.hpp b/source/module_ri/module_exx_symmetry/symmetry_rotation_R.hpp index 12d88d1a17..d2301576fd 100644 --- a/source/module_ri/module_exx_symmetry/symmetry_rotation_R.hpp +++ b/source/module_ri/module_exx_symmetry/symmetry_rotation_R.hpp @@ -1,7 +1,7 @@ #include "symmetry_rotation.h" #include "module_ri/RI_Util.h" -#include "module_base/blas_connector.h" -#include "module_base/timer.h" +#include "source_base/blas_connector.h" +#include "source_base/timer.h" #include #include #include diff --git a/source/module_ri/module_exx_symmetry/symmetry_rotation_R_hcontainer.hpp b/source/module_ri/module_exx_symmetry/symmetry_rotation_R_hcontainer.hpp index 3aef195160..98623d359a 100644 --- a/source/module_ri/module_exx_symmetry/symmetry_rotation_R_hcontainer.hpp +++ b/source/module_ri/module_exx_symmetry/symmetry_rotation_R_hcontainer.hpp @@ -1,6 +1,6 @@ #include "symmetry_rotation.h" -#include "module_base/blas_connector.h" -#include "module_base/parallel_reduce.h" +#include "source_base/blas_connector.h" +#include "source_base/parallel_reduce.h" namespace ModuleSymmetry { template diff --git a/source/module_ri/serialization_boost.h b/source/module_ri/serialization_boost.h index 7d830b4b0e..c187155489 100644 --- a/source/module_ri/serialization_boost.h +++ b/source/module_ri/serialization_boost.h @@ -11,10 +11,10 @@ #include #include -#include "../module_base/vector3.h" -#include "../module_base/abfs-vector3_order.h" -#include "../module_base/matrix.h" -#include "../module_base/matrix_wrapper.h" +#include "../source_base/vector3.h" +#include "../source_base/abfs-vector3_order.h" +#include "../source_base/matrix.h" +#include "../source_base/matrix_wrapper.h" namespace boost { diff --git a/source/module_ri/serialization_cereal.h b/source/module_ri/serialization_cereal.h index 6690b738f6..802449f624 100644 --- a/source/module_ri/serialization_cereal.h +++ b/source/module_ri/serialization_cereal.h @@ -9,9 +9,9 @@ #include #include -#include "../module_base/vector3.h" -#include "../module_base/abfs-vector3_order.h" -#include "../module_base/matrix.h" +#include "../source_base/vector3.h" +#include "../source_base/abfs-vector3_order.h" +#include "../source_base/matrix.h" diff --git a/source/module_ri/test/dm_mixing_test.cpp b/source/module_ri/test/dm_mixing_test.cpp index 9831f5101d..5f8124e2e3 100644 --- a/source/module_ri/test/dm_mixing_test.cpp +++ b/source/module_ri/test/dm_mixing_test.cpp @@ -1,6 +1,6 @@ #include "gmock/gmock.h" #include "gtest/gtest.h" -#include "module_base/module_mixing/broyden_mixing.h" +#include "source_base/module_mixing/broyden_mixing.h" #include "module_ri/Mix_DMk_2D.h" #include "module_ri/Mix_Matrix.h" diff --git a/source/module_ri/test_code/element_basis_index-unittest.cpp b/source/module_ri/test_code/element_basis_index-unittest.cpp index 0fbf2f21ee..427c365569 100644 --- a/source/module_ri/test_code/element_basis_index-unittest.cpp +++ b/source/module_ri/test_code/element_basis_index-unittest.cpp @@ -3,7 +3,7 @@ // DATE : 2016-06-02 //========================================================== -#include "module_base/element_basis_index.h" +#include "source_base/element_basis_index.h" #include "element_basis_index-test.h" ModuleBase::Element_Basis_Index::Range construct_range() diff --git a/source/module_ri/test_code/scalapack-test.cpp b/source/module_ri/test_code/scalapack-test.cpp index a9ca65467b..e3ba182f90 100644 --- a/source/module_ri/test_code/scalapack-test.cpp +++ b/source/module_ri/test_code/scalapack-test.cpp @@ -1,8 +1,8 @@ #ifdef __MPI #include #endif -#include "module_base/scalapack-connector.h" -#include "module_base/global_function.h" +#include "source_base/scalapack-connector.h" +#include "source_base/global_function.h" void test_pblas() { diff --git a/source/module_base/CMakeLists.txt b/source/source_base/CMakeLists.txt similarity index 100% rename from source/module_base/CMakeLists.txt rename to source/source_base/CMakeLists.txt diff --git a/source/module_base/abfs-vector3_order.cpp b/source/source_base/abfs-vector3_order.cpp similarity index 100% rename from source/module_base/abfs-vector3_order.cpp rename to source/source_base/abfs-vector3_order.cpp diff --git a/source/module_base/abfs-vector3_order.h b/source/source_base/abfs-vector3_order.h similarity index 100% rename from source/module_base/abfs-vector3_order.h rename to source/source_base/abfs-vector3_order.h diff --git a/source/module_base/array_pool.h b/source/source_base/array_pool.h similarity index 100% rename from source/module_base/array_pool.h rename to source/source_base/array_pool.h diff --git a/source/module_base/assoc_laguerre.cpp b/source/source_base/assoc_laguerre.cpp similarity index 97% rename from source/module_base/assoc_laguerre.cpp rename to source/source_base/assoc_laguerre.cpp index cdc3ef94d9..2b2171a4c8 100644 --- a/source/module_base/assoc_laguerre.cpp +++ b/source/source_base/assoc_laguerre.cpp @@ -1,5 +1,5 @@ -#include "module_base/assoc_laguerre.h" -#include "module_base/global_function.h" +#include "source_base/assoc_laguerre.h" +#include "source_base/global_function.h" //#include // use cmath the factorial function #include Assoc_Laguerre::Assoc_Laguerre() diff --git a/source/module_base/assoc_laguerre.h b/source/source_base/assoc_laguerre.h similarity index 100% rename from source/module_base/assoc_laguerre.h rename to source/source_base/assoc_laguerre.h diff --git a/source/module_base/atom_in.h b/source/source_base/atom_in.h similarity index 100% rename from source/module_base/atom_in.h rename to source/source_base/atom_in.h diff --git a/source/module_base/blacs_connector.h b/source/source_base/blacs_connector.h similarity index 100% rename from source/module_base/blacs_connector.h rename to source/source_base/blacs_connector.h diff --git a/source/module_base/blas_connector.h b/source/source_base/blas_connector.h similarity index 99% rename from source/module_base/blas_connector.h rename to source/source_base/blas_connector.h index 7e988fd1bb..04e59b5116 100644 --- a/source/module_base/blas_connector.h +++ b/source/source_base/blas_connector.h @@ -2,7 +2,7 @@ #define BLAS_CONNECTOR_H #include -#include "module_base/module_device/types.h" +#include "source_base/module_device/types.h" #include "macros.h" // These still need to be linked in the header file diff --git a/source/module_base/blas_connector_base.cpp b/source/source_base/blas_connector_base.cpp similarity index 92% rename from source/module_base/blas_connector_base.cpp rename to source/source_base/blas_connector_base.cpp index 1d1a81db94..501b310ff3 100644 --- a/source/module_base/blas_connector_base.cpp +++ b/source/source_base/blas_connector_base.cpp @@ -5,8 +5,8 @@ #include #include #include "cublas_v2.h" -#include "module_base/kernels/math_kernel_op.h" -#include "module_base/module_device/memory_op.h" +#include "source_base/kernels/math_kernel_op.h" +#include "source_base/module_device/memory_op.h" namespace BlasUtils{ diff --git a/source/module_base/blas_connector_matrix.cpp b/source/source_base/blas_connector_matrix.cpp similarity index 99% rename from source/module_base/blas_connector_matrix.cpp rename to source/source_base/blas_connector_matrix.cpp index 9beb7a7d59..f679d36dc0 100644 --- a/source/module_base/blas_connector_matrix.cpp +++ b/source/source_base/blas_connector_matrix.cpp @@ -2,16 +2,16 @@ #include "macros.h" #ifdef __DSP -#include "module_base/kernels/dsp/dsp_connector.h" -#include "module_base/global_variable.h" +#include "source_base/kernels/dsp/dsp_connector.h" +#include "source_base/global_variable.h" #endif #ifdef __CUDA #include #include #include "cublas_v2.h" -#include "module_base/kernels/math_kernel_op.h" -#include "module_base/module_device/memory_op.h" +#include "source_base/kernels/math_kernel_op.h" +#include "source_base/module_device/memory_op.h" #endif diff --git a/source/module_base/blas_connector_vector.cpp b/source/source_base/blas_connector_vector.cpp similarity index 99% rename from source/module_base/blas_connector_vector.cpp rename to source/source_base/blas_connector_vector.cpp index e87394b652..1e356f4ecf 100644 --- a/source/module_base/blas_connector_vector.cpp +++ b/source/source_base/blas_connector_vector.cpp @@ -2,16 +2,16 @@ #include "macros.h" #ifdef __DSP -#include "module_base/kernels/dsp/dsp_connector.h" -#include "module_base/global_variable.h" +#include "source_base/kernels/dsp/dsp_connector.h" +#include "source_base/global_variable.h" #endif #ifdef __CUDA #include #include #include "cublas_v2.h" -#include "module_base/kernels/math_kernel_op.h" -#include "module_base/module_device/memory_op.h" +#include "source_base/kernels/math_kernel_op.h" +#include "source_base/module_device/memory_op.h" #endif diff --git a/source/module_base/clebsch_gordan_coeff.cpp b/source/source_base/clebsch_gordan_coeff.cpp similarity index 96% rename from source/module_base/clebsch_gordan_coeff.cpp rename to source/source_base/clebsch_gordan_coeff.cpp index 095fa7e792..7a62b4dba1 100644 --- a/source/module_base/clebsch_gordan_coeff.cpp +++ b/source/source_base/clebsch_gordan_coeff.cpp @@ -1,8 +1,8 @@ #include "clebsch_gordan_coeff.h" -#include "module_base/constants.h" -#include "module_base/inverse_matrix.h" -#include "module_base/math_ylmreal.h" +#include "source_base/constants.h" +#include "source_base/inverse_matrix.h" +#include "source_base/math_ylmreal.h" namespace ModuleBase { diff --git a/source/module_base/clebsch_gordan_coeff.h b/source/source_base/clebsch_gordan_coeff.h similarity index 93% rename from source/module_base/clebsch_gordan_coeff.h rename to source/source_base/clebsch_gordan_coeff.h index 6f6633bc91..9e29ae5c97 100644 --- a/source/module_base/clebsch_gordan_coeff.h +++ b/source/source_base/clebsch_gordan_coeff.h @@ -1,10 +1,10 @@ #ifndef CLEBSCH_GORDAN_H #define CLEBSCH_GORDAN_H -#include "module_base/intarray.h" -#include "module_base/matrix.h" -#include "module_base/realarray.h" -#include "module_base/vector3.h" +#include "source_base/intarray.h" +#include "source_base/matrix.h" +#include "source_base/realarray.h" +#include "source_base/vector3.h" namespace ModuleBase { diff --git a/source/module_base/complexarray.cpp b/source/source_base/complexarray.cpp similarity index 100% rename from source/module_base/complexarray.cpp rename to source/source_base/complexarray.cpp diff --git a/source/module_base/complexarray.h b/source/source_base/complexarray.h similarity index 100% rename from source/module_base/complexarray.h rename to source/source_base/complexarray.h diff --git a/source/module_base/complexmatrix.cpp b/source/source_base/complexmatrix.cpp similarity index 100% rename from source/module_base/complexmatrix.cpp rename to source/source_base/complexmatrix.cpp diff --git a/source/module_base/complexmatrix.h b/source/source_base/complexmatrix.h similarity index 100% rename from source/module_base/complexmatrix.h rename to source/source_base/complexmatrix.h diff --git a/source/module_base/constants.h b/source/source_base/constants.h similarity index 100% rename from source/module_base/constants.h rename to source/source_base/constants.h diff --git a/source/module_base/container_operator.h b/source/source_base/container_operator.h similarity index 100% rename from source/module_base/container_operator.h rename to source/source_base/container_operator.h diff --git a/source/module_base/cubic_spline.cpp b/source/source_base/cubic_spline.cpp similarity index 100% rename from source/module_base/cubic_spline.cpp rename to source/source_base/cubic_spline.cpp diff --git a/source/module_base/cubic_spline.h b/source/source_base/cubic_spline.h similarity index 100% rename from source/module_base/cubic_spline.h rename to source/source_base/cubic_spline.h diff --git a/source/module_base/element_basis_index.cpp b/source/source_base/element_basis_index.cpp similarity index 100% rename from source/module_base/element_basis_index.cpp rename to source/source_base/element_basis_index.cpp diff --git a/source/module_base/element_basis_index.h b/source/source_base/element_basis_index.h similarity index 100% rename from source/module_base/element_basis_index.h rename to source/source_base/element_basis_index.h diff --git a/source/module_base/element_covalent_radius.h b/source/source_base/element_covalent_radius.h similarity index 100% rename from source/module_base/element_covalent_radius.h rename to source/source_base/element_covalent_radius.h diff --git a/source/module_base/element_elec_config.h b/source/source_base/element_elec_config.h similarity index 100% rename from source/module_base/element_elec_config.h rename to source/source_base/element_elec_config.h diff --git a/source/module_base/element_name.h b/source/source_base/element_name.h similarity index 100% rename from source/module_base/element_name.h rename to source/source_base/element_name.h diff --git a/source/module_base/export.cpp b/source/source_base/export.cpp similarity index 100% rename from source/module_base/export.cpp rename to source/source_base/export.cpp diff --git a/source/module_base/export.h b/source/source_base/export.h similarity index 100% rename from source/module_base/export.h rename to source/source_base/export.h diff --git a/source/module_base/formatter.h b/source/source_base/formatter.h similarity index 99% rename from source/module_base/formatter.h rename to source/source_base/formatter.h index 5935cd9eea..b795979fb6 100644 --- a/source/module_base/formatter.h +++ b/source/source_base/formatter.h @@ -14,7 +14,7 @@ #include #include #include -#include "module_base/ndarray.h" +#include "source_base/ndarray.h" /** * @brief * diff --git a/source/module_base/gather_math_lib_info.cpp b/source/source_base/gather_math_lib_info.cpp similarity index 97% rename from source/module_base/gather_math_lib_info.cpp rename to source/source_base/gather_math_lib_info.cpp index ad1ed505f9..6d714c88cc 100644 --- a/source/module_base/gather_math_lib_info.cpp +++ b/source/source_base/gather_math_lib_info.cpp @@ -8,8 +8,8 @@ Results will output to OUT/math_info.log, see ModuleBase::Global_File::make_dir_ #include #undef GATHER_INFO -#include "module_base/blas_connector.h" -#include "module_base/lapack_connector.h" +#include "source_base/blas_connector.h" +#include "source_base/lapack_connector.h" #include diff --git a/source/module_base/global_file.cpp b/source/source_base/global_file.cpp similarity index 99% rename from source/module_base/global_file.cpp rename to source/source_base/global_file.cpp index b5d7bcb8c5..144219b1b3 100644 --- a/source/module_base/global_file.cpp +++ b/source/source_base/global_file.cpp @@ -13,8 +13,8 @@ #include "global_function.h" #include "module_parameter/parameter.h" #include "global_variable.h" -#include "module_base/parallel_common.h" -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_common.h" +#include "source_base/parallel_reduce.h" //---------------------------------------------------------- // EXPLAIN : Be Called in input.cpp diff --git a/source/module_base/global_file.h b/source/source_base/global_file.h similarity index 100% rename from source/module_base/global_file.h rename to source/source_base/global_file.h diff --git a/source/module_base/global_function-func_each_2.h b/source/source_base/global_function-func_each_2.h similarity index 100% rename from source/module_base/global_function-func_each_2.h rename to source/source_base/global_function-func_each_2.h diff --git a/source/module_base/global_function.cpp b/source/source_base/global_function.cpp similarity index 99% rename from source/module_base/global_function.cpp rename to source/source_base/global_function.cpp index 452408f88b..b51315e158 100644 --- a/source/module_base/global_function.cpp +++ b/source/source_base/global_function.cpp @@ -3,7 +3,7 @@ //========================================================== #include "global_function.h" -#include "module_base/parallel_common.h" +#include "source_base/parallel_common.h" #include "global_file.h" //========================================================== diff --git a/source/module_base/global_function.h b/source/source_base/global_function.h similarity index 100% rename from source/module_base/global_function.h rename to source/source_base/global_function.h diff --git a/source/module_base/global_function_ddotreal.cpp b/source/source_base/global_function_ddotreal.cpp similarity index 97% rename from source/module_base/global_function_ddotreal.cpp rename to source/source_base/global_function_ddotreal.cpp index 1a401191f5..5f2c20f79a 100644 --- a/source/module_base/global_function_ddotreal.cpp +++ b/source/source_base/global_function_ddotreal.cpp @@ -1,6 +1,6 @@ #include "blas_connector.h" #include "global_function.h" -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_reduce.h" namespace ModuleBase { diff --git a/source/module_base/global_variable.cpp b/source/source_base/global_variable.cpp similarity index 100% rename from source/module_base/global_variable.cpp rename to source/source_base/global_variable.cpp diff --git a/source/module_base/global_variable.h b/source/source_base/global_variable.h similarity index 100% rename from source/module_base/global_variable.h rename to source/source_base/global_variable.h diff --git a/source/module_base/gram_schmidt_orth-inl.h b/source/source_base/gram_schmidt_orth-inl.h similarity index 100% rename from source/module_base/gram_schmidt_orth-inl.h rename to source/source_base/gram_schmidt_orth-inl.h diff --git a/source/module_base/gram_schmidt_orth.h b/source/source_base/gram_schmidt_orth.h similarity index 100% rename from source/module_base/gram_schmidt_orth.h rename to source/source_base/gram_schmidt_orth.h diff --git a/source/module_base/grid/batch.cpp b/source/source_base/grid/batch.cpp similarity index 97% rename from source/module_base/grid/batch.cpp rename to source/source_base/grid/batch.cpp index 832323e62a..ec461db655 100644 --- a/source/module_base/grid/batch.cpp +++ b/source/source_base/grid/batch.cpp @@ -1,11 +1,11 @@ -#include "module_base/grid/batch.h" +#include "source_base/grid/batch.h" #include #include #include -#include "module_base/blas_connector.h" -#include "module_base/lapack_connector.h" +#include "source_base/blas_connector.h" +#include "source_base/lapack_connector.h" namespace { diff --git a/source/module_base/grid/batch.h b/source/source_base/grid/batch.h similarity index 100% rename from source/module_base/grid/batch.h rename to source/source_base/grid/batch.h diff --git a/source/module_base/grid/delley.cpp b/source/source_base/grid/delley.cpp similarity index 99% rename from source/module_base/grid/delley.cpp rename to source/source_base/grid/delley.cpp index c24aa6ffbb..a170ff04f7 100644 --- a/source/module_base/grid/delley.cpp +++ b/source/source_base/grid/delley.cpp @@ -1,4 +1,4 @@ -#include "module_base/grid/delley.h" +#include "source_base/grid/delley.h" #include #include diff --git a/source/module_base/grid/delley.h b/source/source_base/grid/delley.h similarity index 100% rename from source/module_base/grid/delley.h rename to source/source_base/grid/delley.h diff --git a/source/module_base/grid/partition.cpp b/source/source_base/grid/partition.cpp similarity index 97% rename from source/module_base/grid/partition.cpp rename to source/source_base/grid/partition.cpp index 20ce3edb26..8b474fd116 100644 --- a/source/module_base/grid/partition.cpp +++ b/source/source_base/grid/partition.cpp @@ -1,5 +1,5 @@ -#include "module_base/grid/partition.h" -#include "module_base/constants.h" +#include "source_base/grid/partition.h" +#include "source_base/constants.h" #include #include diff --git a/source/module_base/grid/partition.h b/source/source_base/grid/partition.h similarity index 100% rename from source/module_base/grid/partition.h rename to source/source_base/grid/partition.h diff --git a/source/module_base/grid/radial.cpp b/source/source_base/grid/radial.cpp similarity index 98% rename from source/module_base/grid/radial.cpp rename to source/source_base/grid/radial.cpp index 6b34ec953d..6baf40c3e8 100644 --- a/source/module_base/grid/radial.cpp +++ b/source/source_base/grid/radial.cpp @@ -1,4 +1,4 @@ -#include "module_base/grid/radial.h" +#include "source_base/grid/radial.h" #include diff --git a/source/module_base/grid/radial.h b/source/source_base/grid/radial.h similarity index 100% rename from source/module_base/grid/radial.h rename to source/source_base/grid/radial.h diff --git a/source/module_base/grid/test/CMakeLists.txt b/source/source_base/grid/test/CMakeLists.txt similarity index 100% rename from source/module_base/grid/test/CMakeLists.txt rename to source/source_base/grid/test/CMakeLists.txt diff --git a/source/module_base/grid/test/test_batch.cpp b/source/source_base/grid/test/test_batch.cpp similarity index 99% rename from source/module_base/grid/test/test_batch.cpp rename to source/source_base/grid/test/test_batch.cpp index 74324bc47b..74c3d94386 100644 --- a/source/module_base/grid/test/test_batch.cpp +++ b/source/source_base/grid/test/test_batch.cpp @@ -1,4 +1,4 @@ -#include "module_base/grid/batch.h" +#include "source_base/grid/batch.h" #include "gtest/gtest.h" #include diff --git a/source/module_base/grid/test/test_delley.cpp b/source/source_base/grid/test/test_delley.cpp similarity index 98% rename from source/module_base/grid/test/test_delley.cpp rename to source/source_base/grid/test/test_delley.cpp index 2aa9b38df0..88647fd6c0 100644 --- a/source/module_base/grid/test/test_delley.cpp +++ b/source/source_base/grid/test/test_delley.cpp @@ -1,5 +1,5 @@ -#include "module_base/grid/delley.h" -#include "module_base/ylm.h" +#include "source_base/grid/delley.h" +#include "source_base/ylm.h" #include "gtest/gtest.h" #include diff --git a/source/module_base/grid/test/test_partition.cpp b/source/source_base/grid/test/test_partition.cpp similarity index 98% rename from source/module_base/grid/test/test_partition.cpp rename to source/source_base/grid/test/test_partition.cpp index 057f4c43da..8f2535de3b 100644 --- a/source/module_base/grid/test/test_partition.cpp +++ b/source/source_base/grid/test/test_partition.cpp @@ -1,7 +1,7 @@ -#include "module_base/grid/partition.h" -#include "module_base/grid/radial.h" -#include "module_base/grid/delley.h" -#include "module_base/constants.h" +#include "source_base/grid/partition.h" +#include "source_base/grid/radial.h" +#include "source_base/grid/delley.h" +#include "source_base/constants.h" #include "gtest/gtest.h" #include diff --git a/source/module_base/grid/test/test_radial.cpp b/source/source_base/grid/test/test_radial.cpp similarity index 98% rename from source/module_base/grid/test/test_radial.cpp rename to source/source_base/grid/test/test_radial.cpp index 6cdd4c4841..4635a41e54 100644 --- a/source/module_base/grid/test/test_radial.cpp +++ b/source/source_base/grid/test/test_radial.cpp @@ -1,4 +1,4 @@ -#include "module_base/grid/radial.h" +#include "source_base/grid/radial.h" #include "gtest/gtest.h" #include diff --git a/source/module_base/intarray.cpp b/source/source_base/intarray.cpp similarity index 100% rename from source/module_base/intarray.cpp rename to source/source_base/intarray.cpp diff --git a/source/module_base/intarray.h b/source/source_base/intarray.h similarity index 100% rename from source/module_base/intarray.h rename to source/source_base/intarray.h diff --git a/source/module_base/inverse_matrix.cpp b/source/source_base/inverse_matrix.cpp similarity index 100% rename from source/module_base/inverse_matrix.cpp rename to source/source_base/inverse_matrix.cpp diff --git a/source/module_base/inverse_matrix.h b/source/source_base/inverse_matrix.h similarity index 100% rename from source/module_base/inverse_matrix.h rename to source/source_base/inverse_matrix.h diff --git a/source/module_base/kernels/cuda/math_kernel_op.cu b/source/source_base/kernels/cuda/math_kernel_op.cu similarity index 99% rename from source/module_base/kernels/cuda/math_kernel_op.cu rename to source/source_base/kernels/cuda/math_kernel_op.cu index 3a42767925..9d3aa6f319 100644 --- a/source/module_base/kernels/cuda/math_kernel_op.cu +++ b/source/source_base/kernels/cuda/math_kernel_op.cu @@ -1,7 +1,7 @@ -#include "module_base/module_device/memory_op.h" -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/module_device/memory_op.h" +#include "source_base/kernels/math_kernel_op.h" #include "module_psi/psi.h" -#include "module_base/tool_quit.h" +#include "source_base/tool_quit.h" #include #include diff --git a/source/module_base/kernels/cuda/math_kernel_op_vec.cu b/source/source_base/kernels/cuda/math_kernel_op_vec.cu similarity index 99% rename from source/module_base/kernels/cuda/math_kernel_op_vec.cu rename to source/source_base/kernels/cuda/math_kernel_op_vec.cu index 182d4c54d9..577f503d8e 100644 --- a/source/module_base/kernels/cuda/math_kernel_op_vec.cu +++ b/source/source_base/kernels/cuda/math_kernel_op_vec.cu @@ -1,4 +1,4 @@ -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/kernels/math_kernel_op.h" #include #include diff --git a/source/module_base/kernels/cuda/math_ylm_op.cu b/source/source_base/kernels/cuda/math_ylm_op.cu similarity index 99% rename from source/module_base/kernels/cuda/math_ylm_op.cu rename to source/source_base/kernels/cuda/math_ylm_op.cu index 390f22b93b..559d8bfc2d 100644 --- a/source/module_base/kernels/cuda/math_ylm_op.cu +++ b/source/source_base/kernels/cuda/math_ylm_op.cu @@ -1,5 +1,5 @@ #include -#include "module_base/kernels/math_ylm_op.h" +#include "source_base/kernels/math_ylm_op.h" #include diff --git a/source/module_base/kernels/dsp/dsp_connector.cpp b/source/source_base/kernels/dsp/dsp_connector.cpp similarity index 100% rename from source/module_base/kernels/dsp/dsp_connector.cpp rename to source/source_base/kernels/dsp/dsp_connector.cpp diff --git a/source/module_base/kernels/dsp/dsp_connector.h b/source/source_base/kernels/dsp/dsp_connector.h similarity index 98% rename from source/module_base/kernels/dsp/dsp_connector.h rename to source/source_base/kernels/dsp/dsp_connector.h index ef7eb0bdc8..34ccbaec4b 100644 --- a/source/module_base/kernels/dsp/dsp_connector.h +++ b/source/source_base/kernels/dsp/dsp_connector.h @@ -2,8 +2,8 @@ #define DSP_CONNECTOR_H #ifdef __DSP -#include "module_base/module_device/device.h" -#include "module_base/module_device/memory_op.h" +#include "source_base/module_device/device.h" +#include "source_base/module_device/memory_op.h" #include "source_hsolver/diag_comm_info.h" namespace mtfunc diff --git a/source/module_base/kernels/math_kernel_op.cpp b/source/source_base/kernels/math_kernel_op.cpp similarity index 98% rename from source/module_base/kernels/math_kernel_op.cpp rename to source/source_base/kernels/math_kernel_op.cpp index 9c4ccdc42b..9f57b51cb8 100644 --- a/source/module_base/kernels/math_kernel_op.cpp +++ b/source/source_base/kernels/math_kernel_op.cpp @@ -1,4 +1,4 @@ -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/kernels/math_kernel_op.h" #include #include diff --git a/source/module_base/kernels/math_kernel_op.h b/source/source_base/kernels/math_kernel_op.h similarity index 98% rename from source/module_base/kernels/math_kernel_op.h rename to source/source_base/kernels/math_kernel_op.h index d26e96171c..be6d6ff863 100644 --- a/source/module_base/kernels/math_kernel_op.h +++ b/source/source_base/kernels/math_kernel_op.h @@ -3,13 +3,13 @@ #ifndef MODULE_HSOLVER_MATH_KERNEL_H #define MODULE_HSOLVER_MATH_KERNEL_H -#include "module_base/macros.h" +#include "source_base/macros.h" -#include "module_base/blas_connector.h" -#include "module_base/parallel_reduce.h" +#include "source_base/blas_connector.h" +#include "source_base/parallel_reduce.h" -#include "module_base/module_device/memory_op.h" -#include "module_base/module_device/types.h" +#include "source_base/module_device/memory_op.h" +#include "source_base/module_device/types.h" #if defined(__CUDA) || defined(__UT_USE_CUDA) #include diff --git a/source/module_base/kernels/math_kernel_op_vec.cpp b/source/source_base/kernels/math_kernel_op_vec.cpp similarity index 99% rename from source/module_base/kernels/math_kernel_op_vec.cpp rename to source/source_base/kernels/math_kernel_op_vec.cpp index 605f97ff19..6d35a956e1 100644 --- a/source/module_base/kernels/math_kernel_op_vec.cpp +++ b/source/source_base/kernels/math_kernel_op_vec.cpp @@ -1,4 +1,4 @@ -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/kernels/math_kernel_op.h" namespace ModuleBase { diff --git a/source/module_base/kernels/math_ylm_op.cpp b/source/source_base/kernels/math_ylm_op.cpp similarity index 98% rename from source/module_base/kernels/math_ylm_op.cpp rename to source/source_base/kernels/math_ylm_op.cpp index 0846801797..833f84d408 100644 --- a/source/module_base/kernels/math_ylm_op.cpp +++ b/source/source_base/kernels/math_ylm_op.cpp @@ -1,5 +1,5 @@ -#include "module_base/kernels/math_ylm_op.h" -#include "module_base/libm/libm.h" +#include "source_base/kernels/math_ylm_op.h" +#include "source_base/libm/libm.h" namespace ModuleBase { diff --git a/source/module_base/kernels/math_ylm_op.h b/source/source_base/kernels/math_ylm_op.h similarity index 100% rename from source/module_base/kernels/math_ylm_op.h rename to source/source_base/kernels/math_ylm_op.h diff --git a/source/module_base/kernels/rocm/math_kernel_op.hip.cu b/source/source_base/kernels/rocm/math_kernel_op.hip.cu similarity index 99% rename from source/module_base/kernels/rocm/math_kernel_op.hip.cu rename to source/source_base/kernels/rocm/math_kernel_op.hip.cu index 1211b76b6d..28c742ff07 100644 --- a/source/module_base/kernels/rocm/math_kernel_op.hip.cu +++ b/source/source_base/kernels/rocm/math_kernel_op.hip.cu @@ -1,7 +1,7 @@ -#include "module_base/module_device/memory_op.h" -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/module_device/memory_op.h" +#include "source_base/kernels/math_kernel_op.h" #include "module_psi/psi.h" -#include "module_base/tool_quit.h" +#include "source_base/tool_quit.h" #include #include diff --git a/source/module_base/kernels/rocm/math_kernel_op_vec.hip.cu b/source/source_base/kernels/rocm/math_kernel_op_vec.hip.cu similarity index 99% rename from source/module_base/kernels/rocm/math_kernel_op_vec.hip.cu rename to source/source_base/kernels/rocm/math_kernel_op_vec.hip.cu index 9e05160c54..31c75f8fbd 100644 --- a/source/module_base/kernels/rocm/math_kernel_op_vec.hip.cu +++ b/source/source_base/kernels/rocm/math_kernel_op_vec.hip.cu @@ -1,4 +1,4 @@ -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/kernels/math_kernel_op.h" #include #include diff --git a/source/module_base/kernels/rocm/math_ylm_op.hip.cu b/source/source_base/kernels/rocm/math_ylm_op.hip.cu similarity index 99% rename from source/module_base/kernels/rocm/math_ylm_op.hip.cu rename to source/source_base/kernels/rocm/math_ylm_op.hip.cu index 8cfdac4a39..db64d9c9de 100644 --- a/source/module_base/kernels/rocm/math_ylm_op.hip.cu +++ b/source/source_base/kernels/rocm/math_ylm_op.hip.cu @@ -1,4 +1,4 @@ -#include "module_base/kernels/math_ylm_op.h" +#include "source_base/kernels/math_ylm_op.h" #include #include diff --git a/source/module_base/kernels/test/CMakeLists.txt b/source/source_base/kernels/test/CMakeLists.txt similarity index 100% rename from source/module_base/kernels/test/CMakeLists.txt rename to source/source_base/kernels/test/CMakeLists.txt diff --git a/source/module_base/kernels/test/math_kernel_test.cpp b/source/source_base/kernels/test/math_kernel_test.cpp similarity index 99% rename from source/module_base/kernels/test/math_kernel_test.cpp rename to source/source_base/kernels/test/math_kernel_test.cpp index 38a7b6f9d9..12b6d38dc7 100644 --- a/source/module_base/kernels/test/math_kernel_test.cpp +++ b/source/source_base/kernels/test/math_kernel_test.cpp @@ -1,7 +1,7 @@ -#include "module_base/blas_connector.h" -#include "module_base/constants.h" -#include "module_base/module_device/memory_op.h" -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/blas_connector.h" +#include "source_base/constants.h" +#include "source_base/module_device/memory_op.h" +#include "source_base/kernels/math_kernel_op.h" #include #include diff --git a/source/module_base/kernels/test/math_ylm_op_test.cpp b/source/source_base/kernels/test/math_ylm_op_test.cpp similarity index 99% rename from source/module_base/kernels/test/math_ylm_op_test.cpp rename to source/source_base/kernels/test/math_ylm_op_test.cpp index 5da30d8111..52cee9bba9 100644 --- a/source/module_base/kernels/test/math_ylm_op_test.cpp +++ b/source/source_base/kernels/test/math_ylm_op_test.cpp @@ -1,6 +1,6 @@ -#include "module_base/kernels/math_ylm_op.h" +#include "source_base/kernels/math_ylm_op.h" -#include "module_base/module_device/memory_op.h" +#include "source_base/module_device/memory_op.h" #include #include diff --git a/source/module_base/lapack_connector.h b/source/source_base/lapack_connector.h similarity index 100% rename from source/module_base/lapack_connector.h rename to source/source_base/lapack_connector.h diff --git a/source/module_base/lapack_wrapper.h b/source/source_base/lapack_wrapper.h similarity index 100% rename from source/module_base/lapack_wrapper.h rename to source/source_base/lapack_wrapper.h diff --git a/source/module_base/libm/LICENCE b/source/source_base/libm/LICENCE similarity index 100% rename from source/module_base/libm/LICENCE rename to source/source_base/libm/LICENCE diff --git a/source/module_base/libm/README.md b/source/source_base/libm/README.md similarity index 100% rename from source/module_base/libm/README.md rename to source/source_base/libm/README.md diff --git a/source/module_base/libm/branred.cpp b/source/source_base/libm/branred.cpp similarity index 100% rename from source/module_base/libm/branred.cpp rename to source/source_base/libm/branred.cpp diff --git a/source/module_base/libm/cexp.cpp b/source/source_base/libm/cexp.cpp similarity index 100% rename from source/module_base/libm/cexp.cpp rename to source/source_base/libm/cexp.cpp diff --git a/source/module_base/libm/exp.cpp b/source/source_base/libm/exp.cpp similarity index 100% rename from source/module_base/libm/exp.cpp rename to source/source_base/libm/exp.cpp diff --git a/source/module_base/libm/libm.h b/source/source_base/libm/libm.h similarity index 100% rename from source/module_base/libm/libm.h rename to source/source_base/libm/libm.h diff --git a/source/module_base/libm/sincos.cpp b/source/source_base/libm/sincos.cpp similarity index 100% rename from source/module_base/libm/sincos.cpp rename to source/source_base/libm/sincos.cpp diff --git a/source/module_base/libm/test/CMakeLists.txt b/source/source_base/libm/test/CMakeLists.txt similarity index 100% rename from source/module_base/libm/test/CMakeLists.txt rename to source/source_base/libm/test/CMakeLists.txt diff --git a/source/module_base/libm/test/libm_test.cpp b/source/source_base/libm/test/libm_test.cpp similarity index 100% rename from source/module_base/libm/test/libm_test.cpp rename to source/source_base/libm/test/libm_test.cpp diff --git a/source/module_base/macros.h b/source/source_base/macros.h similarity index 100% rename from source/module_base/macros.h rename to source/source_base/macros.h diff --git a/source/module_base/main.cpp b/source/source_base/main.cpp similarity index 100% rename from source/module_base/main.cpp rename to source/source_base/main.cpp diff --git a/source/module_base/math_bspline.cpp b/source/source_base/math_bspline.cpp similarity index 100% rename from source/module_base/math_bspline.cpp rename to source/source_base/math_bspline.cpp diff --git a/source/module_base/math_bspline.h b/source/source_base/math_bspline.h similarity index 100% rename from source/module_base/math_bspline.h rename to source/source_base/math_bspline.h diff --git a/source/module_base/math_chebyshev.cpp b/source/source_base/math_chebyshev.cpp similarity index 99% rename from source/module_base/math_chebyshev.cpp rename to source/source_base/math_chebyshev.cpp index 60bb560f05..b54d4deefe 100644 --- a/source/module_base/math_chebyshev.cpp +++ b/source/source_base/math_chebyshev.cpp @@ -3,7 +3,7 @@ #include "blas_connector.h" #include "constants.h" #include "global_function.h" -#include "module_base/module_container/ATen/kernels/blas.h" +#include "source_base/module_container/ATen/kernels/blas.h" #include "tool_quit.h" #include diff --git a/source/module_base/math_chebyshev.h b/source/source_base/math_chebyshev.h similarity index 98% rename from source/module_base/math_chebyshev.h rename to source/source_base/math_chebyshev.h index 122f2021e9..581e35eed8 100644 --- a/source/module_base/math_chebyshev.h +++ b/source/source_base/math_chebyshev.h @@ -1,9 +1,9 @@ #ifndef STO_CHEBYCHEV_H #define STO_CHEBYCHEV_H #include "fftw3.h" -#include "module_base/module_device/device.h" -#include "module_base/module_device/memory_op.h" -#include "module_base/module_container/ATen/core/tensor_types.h" +#include "source_base/module_device/device.h" +#include "source_base/module_device/memory_op.h" +#include "source_base/module_container/ATen/core/tensor_types.h" #include #include diff --git a/source/module_base/math_erf_complex.cpp b/source/source_base/math_erf_complex.cpp similarity index 100% rename from source/module_base/math_erf_complex.cpp rename to source/source_base/math_erf_complex.cpp diff --git a/source/module_base/math_erf_complex.h b/source/source_base/math_erf_complex.h similarity index 100% rename from source/module_base/math_erf_complex.h rename to source/source_base/math_erf_complex.h diff --git a/source/module_base/math_integral.cpp b/source/source_base/math_integral.cpp similarity index 100% rename from source/module_base/math_integral.cpp rename to source/source_base/math_integral.cpp diff --git a/source/module_base/math_integral.h b/source/source_base/math_integral.h similarity index 100% rename from source/module_base/math_integral.h rename to source/source_base/math_integral.h diff --git a/source/module_base/math_lebedev_laikov.cpp b/source/source_base/math_lebedev_laikov.cpp similarity index 100% rename from source/module_base/math_lebedev_laikov.cpp rename to source/source_base/math_lebedev_laikov.cpp diff --git a/source/module_base/math_lebedev_laikov.h b/source/source_base/math_lebedev_laikov.h similarity index 100% rename from source/module_base/math_lebedev_laikov.h rename to source/source_base/math_lebedev_laikov.h diff --git a/source/module_base/math_polyint.cpp b/source/source_base/math_polyint.cpp similarity index 100% rename from source/module_base/math_polyint.cpp rename to source/source_base/math_polyint.cpp diff --git a/source/module_base/math_polyint.h b/source/source_base/math_polyint.h similarity index 100% rename from source/module_base/math_polyint.h rename to source/source_base/math_polyint.h diff --git a/source/module_base/math_sphbes.cpp b/source/source_base/math_sphbes.cpp similarity index 100% rename from source/module_base/math_sphbes.cpp rename to source/source_base/math_sphbes.cpp diff --git a/source/module_base/math_sphbes.h b/source/source_base/math_sphbes.h similarity index 100% rename from source/module_base/math_sphbes.h rename to source/source_base/math_sphbes.h diff --git a/source/module_base/math_ylmreal.cpp b/source/source_base/math_ylmreal.cpp similarity index 99% rename from source/module_base/math_ylmreal.cpp rename to source/source_base/math_ylmreal.cpp index 69c79dc089..3a11f95438 100644 --- a/source/module_base/math_ylmreal.cpp +++ b/source/source_base/math_ylmreal.cpp @@ -1,10 +1,10 @@ #include "math_ylmreal.h" #include "constants.h" -#include "module_base/kernels/math_ylm_op.h" -#include "module_base/libm/libm.h" -#include "module_base/module_device/memory_op.h" -#include "module_base/array_pool.h" +#include "source_base/kernels/math_ylm_op.h" +#include "source_base/libm/libm.h" +#include "source_base/module_device/memory_op.h" +#include "source_base/array_pool.h" #include "realarray.h" #include "timer.h" #include "tool_quit.h" diff --git a/source/module_base/math_ylmreal.h b/source/source_base/math_ylmreal.h similarity index 100% rename from source/module_base/math_ylmreal.h rename to source/source_base/math_ylmreal.h diff --git a/source/module_base/mathzone.h b/source/source_base/mathzone.h similarity index 100% rename from source/module_base/mathzone.h rename to source/source_base/mathzone.h diff --git a/source/module_base/mathzone_add1.cpp b/source/source_base/mathzone_add1.cpp similarity index 100% rename from source/module_base/mathzone_add1.cpp rename to source/source_base/mathzone_add1.cpp diff --git a/source/module_base/mathzone_add1.h b/source/source_base/mathzone_add1.h similarity index 100% rename from source/module_base/mathzone_add1.h rename to source/source_base/mathzone_add1.h diff --git a/source/module_base/matrix-inl.h b/source/source_base/matrix-inl.h similarity index 100% rename from source/module_base/matrix-inl.h rename to source/source_base/matrix-inl.h diff --git a/source/module_base/matrix.cpp b/source/source_base/matrix.cpp similarity index 100% rename from source/module_base/matrix.cpp rename to source/source_base/matrix.cpp diff --git a/source/module_base/matrix.h b/source/source_base/matrix.h similarity index 100% rename from source/module_base/matrix.h rename to source/source_base/matrix.h diff --git a/source/module_base/matrix3.cpp b/source/source_base/matrix3.cpp similarity index 100% rename from source/module_base/matrix3.cpp rename to source/source_base/matrix3.cpp diff --git a/source/module_base/matrix3.h b/source/source_base/matrix3.h similarity index 100% rename from source/module_base/matrix3.h rename to source/source_base/matrix3.h diff --git a/source/module_base/matrix_wrapper.h b/source/source_base/matrix_wrapper.h similarity index 100% rename from source/module_base/matrix_wrapper.h rename to source/source_base/matrix_wrapper.h diff --git a/source/module_base/matrix_wrapper_tianhe2.h b/source/source_base/matrix_wrapper_tianhe2.h similarity index 100% rename from source/module_base/matrix_wrapper_tianhe2.h rename to source/source_base/matrix_wrapper_tianhe2.h diff --git a/source/module_base/mcd.c b/source/source_base/mcd.c similarity index 100% rename from source/module_base/mcd.c rename to source/source_base/mcd.c diff --git a/source/module_base/mcd.h b/source/source_base/mcd.h similarity index 100% rename from source/module_base/mcd.h rename to source/source_base/mcd.h diff --git a/source/module_base/memory.cpp b/source/source_base/memory.cpp similarity index 99% rename from source/module_base/memory.cpp rename to source/source_base/memory.cpp index 3f8fe287af..4505bcdb71 100644 --- a/source/module_base/memory.cpp +++ b/source/source_base/memory.cpp @@ -5,7 +5,7 @@ #include #include "memory.h" #include "global_variable.h" -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_reduce.h" namespace ModuleBase { diff --git a/source/module_base/memory.h b/source/source_base/memory.h similarity index 100% rename from source/module_base/memory.h rename to source/source_base/memory.h diff --git a/source/module_base/module_container/ATen/core/CMakeLists.txt b/source/source_base/module_container/ATen/core/CMakeLists.txt similarity index 100% rename from source/module_base/module_container/ATen/core/CMakeLists.txt rename to source/source_base/module_container/ATen/core/CMakeLists.txt diff --git a/source/module_base/module_container/ATen/core/tensor.cpp b/source/source_base/module_container/ATen/core/tensor.cpp similarity index 100% rename from source/module_base/module_container/ATen/core/tensor.cpp rename to source/source_base/module_container/ATen/core/tensor.cpp diff --git a/source/module_base/module_container/ATen/core/tensor.h b/source/source_base/module_container/ATen/core/tensor.h similarity index 100% rename from source/module_base/module_container/ATen/core/tensor.h rename to source/source_base/module_container/ATen/core/tensor.h diff --git a/source/module_base/module_container/ATen/core/tensor_accessor.h b/source/source_base/module_container/ATen/core/tensor_accessor.h similarity index 100% rename from source/module_base/module_container/ATen/core/tensor_accessor.h rename to source/source_base/module_container/ATen/core/tensor_accessor.h diff --git a/source/module_base/module_container/ATen/core/tensor_buffer.cpp b/source/source_base/module_container/ATen/core/tensor_buffer.cpp similarity index 100% rename from source/module_base/module_container/ATen/core/tensor_buffer.cpp rename to source/source_base/module_container/ATen/core/tensor_buffer.cpp diff --git a/source/module_base/module_container/ATen/core/tensor_buffer.h b/source/source_base/module_container/ATen/core/tensor_buffer.h similarity index 100% rename from source/module_base/module_container/ATen/core/tensor_buffer.h rename to source/source_base/module_container/ATen/core/tensor_buffer.h diff --git a/source/module_base/module_container/ATen/core/tensor_map.cpp b/source/source_base/module_container/ATen/core/tensor_map.cpp similarity index 100% rename from source/module_base/module_container/ATen/core/tensor_map.cpp rename to source/source_base/module_container/ATen/core/tensor_map.cpp diff --git a/source/module_base/module_container/ATen/core/tensor_map.h b/source/source_base/module_container/ATen/core/tensor_map.h similarity index 100% rename from source/module_base/module_container/ATen/core/tensor_map.h rename to source/source_base/module_container/ATen/core/tensor_map.h diff --git a/source/module_base/module_container/ATen/core/tensor_shape.cpp b/source/source_base/module_container/ATen/core/tensor_shape.cpp similarity index 100% rename from source/module_base/module_container/ATen/core/tensor_shape.cpp rename to source/source_base/module_container/ATen/core/tensor_shape.cpp diff --git a/source/module_base/module_container/ATen/core/tensor_shape.h b/source/source_base/module_container/ATen/core/tensor_shape.h similarity index 100% rename from source/module_base/module_container/ATen/core/tensor_shape.h rename to source/source_base/module_container/ATen/core/tensor_shape.h diff --git a/source/module_base/module_container/ATen/core/tensor_types.cpp b/source/source_base/module_container/ATen/core/tensor_types.cpp similarity index 100% rename from source/module_base/module_container/ATen/core/tensor_types.cpp rename to source/source_base/module_container/ATen/core/tensor_types.cpp diff --git a/source/module_base/module_container/ATen/core/tensor_types.h b/source/source_base/module_container/ATen/core/tensor_types.h similarity index 99% rename from source/module_base/module_container/ATen/core/tensor_types.h rename to source/source_base/module_container/ATen/core/tensor_types.h index b60080f2ba..b87907825a 100644 --- a/source/module_base/module_container/ATen/core/tensor_types.h +++ b/source/source_base/module_container/ATen/core/tensor_types.h @@ -18,7 +18,7 @@ #include #include -#include "module_base/module_device/types.h" +#include "source_base/module_device/types.h" #if defined(__CUDACC__) #include diff --git a/source/module_base/module_container/ATen/core/tensor_utils.h b/source/source_base/module_container/ATen/core/tensor_utils.h similarity index 100% rename from source/module_base/module_container/ATen/core/tensor_utils.h rename to source/source_base/module_container/ATen/core/tensor_utils.h diff --git a/source/module_base/module_container/ATen/kernels/CMakeLists.txt b/source/source_base/module_container/ATen/kernels/CMakeLists.txt similarity index 100% rename from source/module_base/module_container/ATen/kernels/CMakeLists.txt rename to source/source_base/module_container/ATen/kernels/CMakeLists.txt diff --git a/source/module_base/module_container/ATen/kernels/blas.cpp b/source/source_base/module_container/ATen/kernels/blas.cpp similarity index 100% rename from source/module_base/module_container/ATen/kernels/blas.cpp rename to source/source_base/module_container/ATen/kernels/blas.cpp diff --git a/source/module_base/module_container/ATen/kernels/blas.h b/source/source_base/module_container/ATen/kernels/blas.h similarity index 100% rename from source/module_base/module_container/ATen/kernels/blas.h rename to source/source_base/module_container/ATen/kernels/blas.h diff --git a/source/module_base/module_container/ATen/kernels/cuda/blas.cu b/source/source_base/module_container/ATen/kernels/cuda/blas.cu similarity index 100% rename from source/module_base/module_container/ATen/kernels/cuda/blas.cu rename to source/source_base/module_container/ATen/kernels/cuda/blas.cu diff --git a/source/module_base/module_container/ATen/kernels/cuda/lapack.cu b/source/source_base/module_container/ATen/kernels/cuda/lapack.cu similarity index 100% rename from source/module_base/module_container/ATen/kernels/cuda/lapack.cu rename to source/source_base/module_container/ATen/kernels/cuda/lapack.cu diff --git a/source/module_base/module_container/ATen/kernels/cuda/linalg.cu b/source/source_base/module_container/ATen/kernels/cuda/linalg.cu similarity index 100% rename from source/module_base/module_container/ATen/kernels/cuda/linalg.cu rename to source/source_base/module_container/ATen/kernels/cuda/linalg.cu diff --git a/source/module_base/module_container/ATen/kernels/cuda/memory.cu b/source/source_base/module_container/ATen/kernels/cuda/memory.cu similarity index 100% rename from source/module_base/module_container/ATen/kernels/cuda/memory.cu rename to source/source_base/module_container/ATen/kernels/cuda/memory.cu diff --git a/source/module_base/module_container/ATen/kernels/lapack.cpp b/source/source_base/module_container/ATen/kernels/lapack.cpp similarity index 100% rename from source/module_base/module_container/ATen/kernels/lapack.cpp rename to source/source_base/module_container/ATen/kernels/lapack.cpp diff --git a/source/module_base/module_container/ATen/kernels/lapack.h b/source/source_base/module_container/ATen/kernels/lapack.h similarity index 100% rename from source/module_base/module_container/ATen/kernels/lapack.h rename to source/source_base/module_container/ATen/kernels/lapack.h diff --git a/source/module_base/module_container/ATen/kernels/linalg.cpp b/source/source_base/module_container/ATen/kernels/linalg.cpp similarity index 100% rename from source/module_base/module_container/ATen/kernels/linalg.cpp rename to source/source_base/module_container/ATen/kernels/linalg.cpp diff --git a/source/module_base/module_container/ATen/kernels/linalg.h b/source/source_base/module_container/ATen/kernels/linalg.h similarity index 100% rename from source/module_base/module_container/ATen/kernels/linalg.h rename to source/source_base/module_container/ATen/kernels/linalg.h diff --git a/source/module_base/module_container/ATen/kernels/memory.h b/source/source_base/module_container/ATen/kernels/memory.h similarity index 100% rename from source/module_base/module_container/ATen/kernels/memory.h rename to source/source_base/module_container/ATen/kernels/memory.h diff --git a/source/module_base/module_container/ATen/kernels/memory_impl.cpp b/source/source_base/module_container/ATen/kernels/memory_impl.cpp similarity index 100% rename from source/module_base/module_container/ATen/kernels/memory_impl.cpp rename to source/source_base/module_container/ATen/kernels/memory_impl.cpp diff --git a/source/module_base/module_container/ATen/kernels/rocm/blas.hip.cu b/source/source_base/module_container/ATen/kernels/rocm/blas.hip.cu similarity index 100% rename from source/module_base/module_container/ATen/kernels/rocm/blas.hip.cu rename to source/source_base/module_container/ATen/kernels/rocm/blas.hip.cu diff --git a/source/module_base/module_container/ATen/kernels/rocm/lapack.hip.cu b/source/source_base/module_container/ATen/kernels/rocm/lapack.hip.cu similarity index 100% rename from source/module_base/module_container/ATen/kernels/rocm/lapack.hip.cu rename to source/source_base/module_container/ATen/kernels/rocm/lapack.hip.cu diff --git a/source/module_base/module_container/ATen/kernels/rocm/linalg.hip.cu b/source/source_base/module_container/ATen/kernels/rocm/linalg.hip.cu similarity index 100% rename from source/module_base/module_container/ATen/kernels/rocm/linalg.hip.cu rename to source/source_base/module_container/ATen/kernels/rocm/linalg.hip.cu diff --git a/source/module_base/module_container/ATen/kernels/rocm/memory.hip.cu b/source/source_base/module_container/ATen/kernels/rocm/memory.hip.cu similarity index 100% rename from source/module_base/module_container/ATen/kernels/rocm/memory.hip.cu rename to source/source_base/module_container/ATen/kernels/rocm/memory.hip.cu diff --git a/source/module_base/module_container/ATen/kernels/test/CMakeLists.txt b/source/source_base/module_container/ATen/kernels/test/CMakeLists.txt similarity index 100% rename from source/module_base/module_container/ATen/kernels/test/CMakeLists.txt rename to source/source_base/module_container/ATen/kernels/test/CMakeLists.txt diff --git a/source/module_base/module_container/ATen/kernels/test/blas_test.cpp b/source/source_base/module_container/ATen/kernels/test/blas_test.cpp similarity index 100% rename from source/module_base/module_container/ATen/kernels/test/blas_test.cpp rename to source/source_base/module_container/ATen/kernels/test/blas_test.cpp diff --git a/source/module_base/module_container/ATen/kernels/test/lapack_test.cpp b/source/source_base/module_container/ATen/kernels/test/lapack_test.cpp similarity index 100% rename from source/module_base/module_container/ATen/kernels/test/lapack_test.cpp rename to source/source_base/module_container/ATen/kernels/test/lapack_test.cpp diff --git a/source/module_base/module_container/ATen/kernels/test/linalg_test.cpp b/source/source_base/module_container/ATen/kernels/test/linalg_test.cpp similarity index 100% rename from source/module_base/module_container/ATen/kernels/test/linalg_test.cpp rename to source/source_base/module_container/ATen/kernels/test/linalg_test.cpp diff --git a/source/module_base/module_container/ATen/kernels/test/memory_test.cpp b/source/source_base/module_container/ATen/kernels/test/memory_test.cpp similarity index 100% rename from source/module_base/module_container/ATen/kernels/test/memory_test.cpp rename to source/source_base/module_container/ATen/kernels/test/memory_test.cpp diff --git a/source/module_base/module_container/ATen/ops/CMakeLists.txt b/source/source_base/module_container/ATen/ops/CMakeLists.txt similarity index 100% rename from source/module_base/module_container/ATen/ops/CMakeLists.txt rename to source/source_base/module_container/ATen/ops/CMakeLists.txt diff --git a/source/module_base/module_container/ATen/ops/einsum_op.cpp b/source/source_base/module_container/ATen/ops/einsum_op.cpp similarity index 100% rename from source/module_base/module_container/ATen/ops/einsum_op.cpp rename to source/source_base/module_container/ATen/ops/einsum_op.cpp diff --git a/source/module_base/module_container/ATen/ops/einsum_op.h b/source/source_base/module_container/ATen/ops/einsum_op.h similarity index 100% rename from source/module_base/module_container/ATen/ops/einsum_op.h rename to source/source_base/module_container/ATen/ops/einsum_op.h diff --git a/source/module_base/module_container/ATen/ops/linalg_op.cpp b/source/source_base/module_container/ATen/ops/linalg_op.cpp similarity index 100% rename from source/module_base/module_container/ATen/ops/linalg_op.cpp rename to source/source_base/module_container/ATen/ops/linalg_op.cpp diff --git a/source/module_base/module_container/ATen/ops/linalg_op.h b/source/source_base/module_container/ATen/ops/linalg_op.h similarity index 100% rename from source/module_base/module_container/ATen/ops/linalg_op.h rename to source/source_base/module_container/ATen/ops/linalg_op.h diff --git a/source/module_base/module_container/ATen/ops/test/CMakeLists.txt b/source/source_base/module_container/ATen/ops/test/CMakeLists.txt similarity index 100% rename from source/module_base/module_container/ATen/ops/test/CMakeLists.txt rename to source/source_base/module_container/ATen/ops/test/CMakeLists.txt diff --git a/source/module_base/module_container/ATen/ops/test/einsum_op_test.cpp b/source/source_base/module_container/ATen/ops/test/einsum_op_test.cpp similarity index 100% rename from source/module_base/module_container/ATen/ops/test/einsum_op_test.cpp rename to source/source_base/module_container/ATen/ops/test/einsum_op_test.cpp diff --git a/source/module_base/module_container/ATen/ops/test/linalg_op_test.cpp b/source/source_base/module_container/ATen/ops/test/linalg_op_test.cpp similarity index 100% rename from source/module_base/module_container/ATen/ops/test/linalg_op_test.cpp rename to source/source_base/module_container/ATen/ops/test/linalg_op_test.cpp diff --git a/source/module_base/module_container/ATen/tensor.h b/source/source_base/module_container/ATen/tensor.h similarity index 100% rename from source/module_base/module_container/ATen/tensor.h rename to source/source_base/module_container/ATen/tensor.h diff --git a/source/module_base/module_container/CMakeLists.txt b/source/source_base/module_container/CMakeLists.txt similarity index 100% rename from source/module_base/module_container/CMakeLists.txt rename to source/source_base/module_container/CMakeLists.txt diff --git a/source/module_base/module_container/base/core/CMakeLists.txt b/source/source_base/module_container/base/core/CMakeLists.txt similarity index 100% rename from source/module_base/module_container/base/core/CMakeLists.txt rename to source/source_base/module_container/base/core/CMakeLists.txt diff --git a/source/module_base/module_container/base/core/allocator.h b/source/source_base/module_container/base/core/allocator.h similarity index 100% rename from source/module_base/module_container/base/core/allocator.h rename to source/source_base/module_container/base/core/allocator.h diff --git a/source/module_base/module_container/base/core/bfc_allocator.h b/source/source_base/module_container/base/core/bfc_allocator.h similarity index 100% rename from source/module_base/module_container/base/core/bfc_allocator.h rename to source/source_base/module_container/base/core/bfc_allocator.h diff --git a/source/module_base/module_container/base/core/cpu_allocator.cpp b/source/source_base/module_container/base/core/cpu_allocator.cpp similarity index 100% rename from source/module_base/module_container/base/core/cpu_allocator.cpp rename to source/source_base/module_container/base/core/cpu_allocator.cpp diff --git a/source/module_base/module_container/base/core/cpu_allocator.h b/source/source_base/module_container/base/core/cpu_allocator.h similarity index 100% rename from source/module_base/module_container/base/core/cpu_allocator.h rename to source/source_base/module_container/base/core/cpu_allocator.h diff --git a/source/module_base/module_container/base/core/gpu_allocator.cpp b/source/source_base/module_container/base/core/gpu_allocator.cpp similarity index 100% rename from source/module_base/module_container/base/core/gpu_allocator.cpp rename to source/source_base/module_container/base/core/gpu_allocator.cpp diff --git a/source/module_base/module_container/base/core/gpu_allocator.h b/source/source_base/module_container/base/core/gpu_allocator.h similarity index 100% rename from source/module_base/module_container/base/core/gpu_allocator.h rename to source/source_base/module_container/base/core/gpu_allocator.h diff --git a/source/module_base/module_container/base/core/refcount.cpp b/source/source_base/module_container/base/core/refcount.cpp similarity index 100% rename from source/module_base/module_container/base/core/refcount.cpp rename to source/source_base/module_container/base/core/refcount.cpp diff --git a/source/module_base/module_container/base/core/refcount.h b/source/source_base/module_container/base/core/refcount.h similarity index 100% rename from source/module_base/module_container/base/core/refcount.h rename to source/source_base/module_container/base/core/refcount.h diff --git a/source/module_base/module_container/base/macros/cuda.h b/source/source_base/module_container/base/macros/cuda.h similarity index 100% rename from source/module_base/module_container/base/macros/cuda.h rename to source/source_base/module_container/base/macros/cuda.h diff --git a/source/module_base/module_container/base/macros/macros.h b/source/source_base/module_container/base/macros/macros.h similarity index 100% rename from source/module_base/module_container/base/macros/macros.h rename to source/source_base/module_container/base/macros/macros.h diff --git a/source/module_base/module_container/base/macros/rocm.h b/source/source_base/module_container/base/macros/rocm.h similarity index 100% rename from source/module_base/module_container/base/macros/rocm.h rename to source/source_base/module_container/base/macros/rocm.h diff --git a/source/module_base/module_container/base/third_party/blas.h b/source/source_base/module_container/base/third_party/blas.h similarity index 100% rename from source/module_base/module_container/base/third_party/blas.h rename to source/source_base/module_container/base/third_party/blas.h diff --git a/source/module_base/module_container/base/third_party/cublas.h b/source/source_base/module_container/base/third_party/cublas.h similarity index 100% rename from source/module_base/module_container/base/third_party/cublas.h rename to source/source_base/module_container/base/third_party/cublas.h diff --git a/source/module_base/module_container/base/third_party/cusolver.h b/source/source_base/module_container/base/third_party/cusolver.h similarity index 100% rename from source/module_base/module_container/base/third_party/cusolver.h rename to source/source_base/module_container/base/third_party/cusolver.h diff --git a/source/module_base/module_container/base/third_party/hipblas.h b/source/source_base/module_container/base/third_party/hipblas.h similarity index 100% rename from source/module_base/module_container/base/third_party/hipblas.h rename to source/source_base/module_container/base/third_party/hipblas.h diff --git a/source/module_base/module_container/base/third_party/hipsolver.h b/source/source_base/module_container/base/third_party/hipsolver.h similarity index 100% rename from source/module_base/module_container/base/third_party/hipsolver.h rename to source/source_base/module_container/base/third_party/hipsolver.h diff --git a/source/module_base/module_container/base/third_party/lapack.h b/source/source_base/module_container/base/third_party/lapack.h similarity index 100% rename from source/module_base/module_container/base/third_party/lapack.h rename to source/source_base/module_container/base/third_party/lapack.h diff --git a/source/module_base/module_container/base/utils/array_ref.h b/source/source_base/module_container/base/utils/array_ref.h similarity index 100% rename from source/module_base/module_container/base/utils/array_ref.h rename to source/source_base/module_container/base/utils/array_ref.h diff --git a/source/module_base/module_container/base/utils/gtest.h b/source/source_base/module_container/base/utils/gtest.h similarity index 100% rename from source/module_base/module_container/base/utils/gtest.h rename to source/source_base/module_container/base/utils/gtest.h diff --git a/source/module_base/module_container/base/utils/logging.h b/source/source_base/module_container/base/utils/logging.h similarity index 100% rename from source/module_base/module_container/base/utils/logging.h rename to source/source_base/module_container/base/utils/logging.h diff --git a/source/module_base/module_container/test/CMakeLists.txt b/source/source_base/module_container/test/CMakeLists.txt similarity index 100% rename from source/module_base/module_container/test/CMakeLists.txt rename to source/source_base/module_container/test/CMakeLists.txt diff --git a/source/module_base/module_container/test/allocator_test.cpp b/source/source_base/module_container/test/allocator_test.cpp similarity index 100% rename from source/module_base/module_container/test/allocator_test.cpp rename to source/source_base/module_container/test/allocator_test.cpp diff --git a/source/module_base/module_container/test/tensor_accessor_test.cpp b/source/source_base/module_container/test/tensor_accessor_test.cpp similarity index 100% rename from source/module_base/module_container/test/tensor_accessor_test.cpp rename to source/source_base/module_container/test/tensor_accessor_test.cpp diff --git a/source/module_base/module_container/test/tensor_buffer_test.cpp b/source/source_base/module_container/test/tensor_buffer_test.cpp similarity index 100% rename from source/module_base/module_container/test/tensor_buffer_test.cpp rename to source/source_base/module_container/test/tensor_buffer_test.cpp diff --git a/source/module_base/module_container/test/tensor_map_test.cpp b/source/source_base/module_container/test/tensor_map_test.cpp similarity index 100% rename from source/module_base/module_container/test/tensor_map_test.cpp rename to source/source_base/module_container/test/tensor_map_test.cpp diff --git a/source/module_base/module_container/test/tensor_shape_test.cpp b/source/source_base/module_container/test/tensor_shape_test.cpp similarity index 100% rename from source/module_base/module_container/test/tensor_shape_test.cpp rename to source/source_base/module_container/test/tensor_shape_test.cpp diff --git a/source/module_base/module_container/test/tensor_test.cpp b/source/source_base/module_container/test/tensor_test.cpp similarity index 100% rename from source/module_base/module_container/test/tensor_test.cpp rename to source/source_base/module_container/test/tensor_test.cpp diff --git a/source/module_base/module_container/test/tensor_utils_test.cpp b/source/source_base/module_container/test/tensor_utils_test.cpp similarity index 100% rename from source/module_base/module_container/test/tensor_utils_test.cpp rename to source/source_base/module_container/test/tensor_utils_test.cpp diff --git a/source/module_base/module_device/CMakeLists.txt b/source/source_base/module_device/CMakeLists.txt similarity index 100% rename from source/module_base/module_device/CMakeLists.txt rename to source/source_base/module_device/CMakeLists.txt diff --git a/source/module_base/module_device/cuda/memory_op.cu b/source/source_base/module_device/cuda/memory_op.cu similarity index 99% rename from source/module_base/module_device/cuda/memory_op.cu rename to source/source_base/module_device/cuda/memory_op.cu index c4f9efdb42..43eae7975c 100644 --- a/source/module_base/module_device/cuda/memory_op.cu +++ b/source/source_base/module_device/cuda/memory_op.cu @@ -1,5 +1,5 @@ -#include "module_base/module_device/memory_op.h" -#include "module_base/memory.h" +#include "source_base/module_device/memory_op.h" +#include "source_base/memory.h" #include #include diff --git a/source/module_base/module_device/device.cpp b/source/source_base/module_device/device.cpp similarity index 99% rename from source/module_base/module_device/device.cpp rename to source/source_base/module_device/device.cpp index 9373a5a31a..d8837e1995 100644 --- a/source/module_base/module_device/device.cpp +++ b/source/source_base/module_device/device.cpp @@ -1,7 +1,7 @@ #include "device.h" -#include "module_base/tool_quit.h" +#include "source_base/tool_quit.h" #include #include diff --git a/source/module_base/module_device/device.h b/source/source_base/module_device/device.h similarity index 100% rename from source/module_base/module_device/device.h rename to source/source_base/module_device/device.h diff --git a/source/module_base/module_device/memory_op.cpp b/source/source_base/module_device/memory_op.cpp similarity index 99% rename from source/module_base/module_device/memory_op.cpp rename to source/source_base/module_device/memory_op.cpp index 9af0ce5a79..189014c981 100644 --- a/source/module_base/module_device/memory_op.cpp +++ b/source/source_base/module_device/memory_op.cpp @@ -1,10 +1,10 @@ #include "memory_op.h" -#include "module_base/memory.h" -#include "module_base/tool_threading.h" +#include "source_base/memory.h" +#include "source_base/tool_threading.h" #ifdef __DSP -#include "module_base/kernels/dsp/dsp_connector.h" -#include "module_base/global_variable.h" +#include "source_base/kernels/dsp/dsp_connector.h" +#include "source_base/global_variable.h" #endif #include diff --git a/source/module_base/module_device/memory_op.h b/source/source_base/module_device/memory_op.h similarity index 100% rename from source/module_base/module_device/memory_op.h rename to source/source_base/module_device/memory_op.h diff --git a/source/module_base/module_device/rocm/memory_op.hip.cu b/source/source_base/module_device/rocm/memory_op.hip.cu similarity index 99% rename from source/module_base/module_device/rocm/memory_op.hip.cu rename to source/source_base/module_device/rocm/memory_op.hip.cu index 287a5990c0..56eb6f06b7 100644 --- a/source/module_base/module_device/rocm/memory_op.hip.cu +++ b/source/source_base/module_device/rocm/memory_op.hip.cu @@ -1,4 +1,4 @@ -#include "module_base/module_device/memory_op.h" +#include "source_base/module_device/memory_op.h" #include #include diff --git a/source/module_base/module_device/test/CMakeLists.txt b/source/source_base/module_device/test/CMakeLists.txt similarity index 100% rename from source/module_base/module_device/test/CMakeLists.txt rename to source/source_base/module_device/test/CMakeLists.txt diff --git a/source/module_base/module_device/test/device_test.cpp b/source/source_base/module_device/test/device_test.cpp similarity index 94% rename from source/module_base/module_device/test/device_test.cpp rename to source/source_base/module_device/test/device_test.cpp index e14392999e..02d485c8ef 100644 --- a/source/module_base/module_device/test/device_test.cpp +++ b/source/source_base/module_device/test/device_test.cpp @@ -1,4 +1,4 @@ -#include "module_base/module_device/device.h" +#include "source_base/module_device/device.h" #include #include diff --git a/source/module_base/module_device/test/memory_test.cpp b/source/source_base/module_device/test/memory_test.cpp similarity index 99% rename from source/module_base/module_device/test/memory_test.cpp rename to source/source_base/module_device/test/memory_test.cpp index 39c5c25d52..a963c68c53 100644 --- a/source/module_base/module_device/test/memory_test.cpp +++ b/source/source_base/module_device/test/memory_test.cpp @@ -1,4 +1,4 @@ -#include "module_base/module_device/memory_op.h" +#include "source_base/module_device/memory_op.h" #include #include diff --git a/source/module_base/module_device/types.h b/source/source_base/module_device/types.h similarity index 100% rename from source/module_base/module_device/types.h rename to source/source_base/module_device/types.h diff --git a/source/module_base/module_mixing/broyden_mixing.cpp b/source/source_base/module_mixing/broyden_mixing.cpp similarity index 96% rename from source/module_base/module_mixing/broyden_mixing.cpp rename to source/source_base/module_mixing/broyden_mixing.cpp index 0d769ede0e..71f82e3cbd 100644 --- a/source/module_base/module_mixing/broyden_mixing.cpp +++ b/source/source_base/module_mixing/broyden_mixing.cpp @@ -1,10 +1,10 @@ #include "broyden_mixing.h" -#include "module_base/lapack_connector.h" -#include "module_base/memory.h" -#include "module_base/module_container/base/third_party/blas.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/lapack_connector.h" +#include "source_base/memory.h" +#include "source_base/module_container/base/third_party/blas.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" namespace Base_Mixing { template void Broyden_Mixing::tem_push_data(Mixing_Data& mdata, diff --git a/source/module_base/module_mixing/broyden_mixing.h b/source/source_base/module_mixing/broyden_mixing.h similarity index 99% rename from source/module_base/module_mixing/broyden_mixing.h rename to source/source_base/module_mixing/broyden_mixing.h index d3fbbd82f3..8032f09657 100644 --- a/source/module_base/module_mixing/broyden_mixing.h +++ b/source/source_base/module_mixing/broyden_mixing.h @@ -1,7 +1,7 @@ #ifndef BROYDEN_MIXING_H_ #define BROYDEN_MIXING_H_ #include "mixing.h" -#include "module_base/matrix.h" +#include "source_base/matrix.h" namespace Base_Mixing { diff --git a/source/module_base/module_mixing/mixing.cpp b/source/source_base/module_mixing/mixing.cpp similarity index 98% rename from source/module_base/module_mixing/mixing.cpp rename to source/source_base/module_mixing/mixing.cpp index bd522bc60b..a252587ac6 100644 --- a/source/module_base/module_mixing/mixing.cpp +++ b/source/source_base/module_mixing/mixing.cpp @@ -1,6 +1,6 @@ #include "mixing.h" -#include "module_base/module_container/base/third_party/blas.h" +#include "source_base/module_container/base/third_party/blas.h" namespace Base_Mixing { diff --git a/source/module_base/module_mixing/mixing.h b/source/source_base/module_mixing/mixing.h similarity index 100% rename from source/module_base/module_mixing/mixing.h rename to source/source_base/module_mixing/mixing.h diff --git a/source/module_base/module_mixing/mixing_data.cpp b/source/source_base/module_mixing/mixing_data.cpp similarity index 100% rename from source/module_base/module_mixing/mixing_data.cpp rename to source/source_base/module_mixing/mixing_data.cpp diff --git a/source/module_base/module_mixing/mixing_data.h b/source/source_base/module_mixing/mixing_data.h similarity index 97% rename from source/module_base/module_mixing/mixing_data.h rename to source/source_base/module_mixing/mixing_data.h index e5986f7faa..f71380531f 100644 --- a/source/module_base/module_mixing/mixing_data.h +++ b/source/source_base/module_mixing/mixing_data.h @@ -2,7 +2,7 @@ #define MIXING_DATA_H_ #include -#include "module_base/module_container/ATen/tensor.h" +#include "source_base/module_container/ATen/tensor.h" namespace Base_Mixing { diff --git a/source/module_base/module_mixing/plain_mixing.cpp b/source/source_base/module_mixing/plain_mixing.cpp similarity index 97% rename from source/module_base/module_mixing/plain_mixing.cpp rename to source/source_base/module_mixing/plain_mixing.cpp index 025cc67b1e..81bdd659ef 100644 --- a/source/module_base/module_mixing/plain_mixing.cpp +++ b/source/source_base/module_mixing/plain_mixing.cpp @@ -1,8 +1,8 @@ #include "plain_mixing.h" -#include "module_base/memory.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/memory.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" namespace Base_Mixing { template void Plain_Mixing::tem_push_data(Mixing_Data& mdata, diff --git a/source/module_base/module_mixing/plain_mixing.h b/source/source_base/module_mixing/plain_mixing.h similarity index 100% rename from source/module_base/module_mixing/plain_mixing.h rename to source/source_base/module_mixing/plain_mixing.h diff --git a/source/module_base/module_mixing/pulay_mixing.cpp b/source/source_base/module_mixing/pulay_mixing.cpp similarity index 97% rename from source/module_base/module_mixing/pulay_mixing.cpp rename to source/source_base/module_mixing/pulay_mixing.cpp index 9c9c10a7bd..5caa6b7299 100644 --- a/source/module_base/module_mixing/pulay_mixing.cpp +++ b/source/source_base/module_mixing/pulay_mixing.cpp @@ -1,9 +1,9 @@ #include "pulay_mixing.h" -#include "module_base/lapack_connector.h" -#include "module_base/memory.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/lapack_connector.h" +#include "source_base/memory.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" namespace Base_Mixing { template void Pulay_Mixing::tem_push_data(Mixing_Data& mdata, diff --git a/source/module_base/module_mixing/pulay_mixing.h b/source/source_base/module_mixing/pulay_mixing.h similarity index 99% rename from source/module_base/module_mixing/pulay_mixing.h rename to source/source_base/module_mixing/pulay_mixing.h index 0e6c6de595..c336959dc9 100644 --- a/source/module_base/module_mixing/pulay_mixing.h +++ b/source/source_base/module_mixing/pulay_mixing.h @@ -1,7 +1,7 @@ #ifndef PULAY_MIXING_H_ #define PULAY_MIXING_H_ #include "mixing.h" -#include "module_base/matrix.h" +#include "source_base/matrix.h" namespace Base_Mixing { diff --git a/source/module_base/module_mixing/test/CMakeLists.txt b/source/source_base/module_mixing/test/CMakeLists.txt similarity index 100% rename from source/module_base/module_mixing/test/CMakeLists.txt rename to source/source_base/module_mixing/test/CMakeLists.txt diff --git a/source/module_base/module_mixing/test/mixing_test.cpp b/source/source_base/module_mixing/test/mixing_test.cpp similarity index 100% rename from source/module_base/module_mixing/test/mixing_test.cpp rename to source/source_base/module_mixing/test/mixing_test.cpp diff --git a/source/module_base/mymath.cpp b/source/source_base/mymath.cpp similarity index 100% rename from source/module_base/mymath.cpp rename to source/source_base/mymath.cpp diff --git a/source/module_base/mymath.h b/source/source_base/mymath.h similarity index 100% rename from source/module_base/mymath.h rename to source/source_base/mymath.h diff --git a/source/module_base/name_angular.h b/source/source_base/name_angular.h similarity index 100% rename from source/module_base/name_angular.h rename to source/source_base/name_angular.h diff --git a/source/module_base/ndarray.h b/source/source_base/ndarray.h similarity index 98% rename from source/module_base/ndarray.h rename to source/source_base/ndarray.h index 585af603b8..5f76fb9e28 100644 --- a/source/module_base/ndarray.h +++ b/source/source_base/ndarray.h @@ -1,7 +1,7 @@ /** * @file NDArray.h * @author your name (you@domain.com) - * @brief under the restriction of C++11, a simple alternative to std::vector + std::mdspan. In module_base/module_container/ATen/tensor.h, tensor class provides a cross-device container, but std::string is not supported. Therefore, this class is to provide a general (but CPU-only) container for multi-dimensional data. It can easily convert to ontainer::Tensor. + * @brief under the restriction of C++11, a simple alternative to std::vector + std::mdspan. In source_base/module_container/ATen/tensor.h, tensor class provides a cross-device container, but std::string is not supported. Therefore, this class is to provide a general (but CPU-only) container for multi-dimensional data. It can easily convert to ontainer::Tensor. * @version 0.1 * @date 2024-04-24 * @@ -22,7 +22,7 @@ //#include "./module_container/ATen/tensor.h" /** - * @brief under the restriction of C++11, a simple alternative to std::vector + std::mdspan. In module_base/module_container/ATen/tensor.h, tensor class provides a cross-device container, but std::string is not supported. Therefore, this class is to provide a general (but CPU-only) container for multi-dimensional data. It can easily convert to container::Tensor. + * @brief under the restriction of C++11, a simple alternative to std::vector + std::mdspan. In source_base/module_container/ATen/tensor.h, tensor class provides a cross-device container, but std::string is not supported. Therefore, this class is to provide a general (but CPU-only) container for multi-dimensional data. It can easily convert to container::Tensor. * * @tparam T */ diff --git a/source/module_base/opt_CG.cpp b/source/source_base/opt_CG.cpp similarity index 100% rename from source/module_base/opt_CG.cpp rename to source/source_base/opt_CG.cpp diff --git a/source/module_base/opt_CG.h b/source/source_base/opt_CG.h similarity index 98% rename from source/module_base/opt_CG.h rename to source/source_base/opt_CG.h index 32707d6ca7..5e14975fcb 100644 --- a/source/module_base/opt_CG.h +++ b/source/source_base/opt_CG.h @@ -6,7 +6,7 @@ #include #include "global_function.h" -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_reduce.h" namespace ModuleBase { diff --git a/source/module_base/opt_DCsrch.cpp b/source/source_base/opt_DCsrch.cpp similarity index 100% rename from source/module_base/opt_DCsrch.cpp rename to source/source_base/opt_DCsrch.cpp diff --git a/source/module_base/opt_DCsrch.h b/source/source_base/opt_DCsrch.h similarity index 100% rename from source/module_base/opt_DCsrch.h rename to source/source_base/opt_DCsrch.h diff --git a/source/module_base/opt_TN.hpp b/source/source_base/opt_TN.hpp similarity index 100% rename from source/module_base/opt_TN.hpp rename to source/source_base/opt_TN.hpp diff --git a/source/module_base/para_gemm.cpp b/source/source_base/para_gemm.cpp similarity index 99% rename from source/module_base/para_gemm.cpp rename to source/source_base/para_gemm.cpp index abfacf5154..1a6bbe8356 100644 --- a/source/module_base/para_gemm.cpp +++ b/source/source_base/para_gemm.cpp @@ -2,7 +2,7 @@ #include "kernels/math_kernel_op.h" #include "parallel_device.h" -#include "module_base/timer.h" +#include "source_base/timer.h" namespace ModuleBase { template diff --git a/source/module_base/para_gemm.h b/source/source_base/para_gemm.h similarity index 98% rename from source/module_base/para_gemm.h rename to source/source_base/para_gemm.h index a0e01d2734..6cf391d56d 100644 --- a/source/module_base/para_gemm.h +++ b/source/source_base/para_gemm.h @@ -1,7 +1,7 @@ #ifndef PARA_GEMM_H #define PARA_GEMM_H -#include "module_base/module_device/device.h" -#include "module_base/module_device/memory_op.h" +#include "source_base/module_device/device.h" +#include "source_base/module_device/memory_op.h" #include #ifdef __MPI diff --git a/source/module_base/parallel_2d.cpp b/source/source_base/parallel_2d.cpp similarity index 98% rename from source/module_base/parallel_2d.cpp rename to source/source_base/parallel_2d.cpp index 3791a1218b..ef01a0566d 100644 --- a/source/module_base/parallel_2d.cpp +++ b/source/source_base/parallel_2d.cpp @@ -1,6 +1,6 @@ #include "parallel_2d.h" -#include "module_base/scalapack_connector.h" +#include "source_base/scalapack_connector.h" #include #include diff --git a/source/module_base/parallel_2d.h b/source/source_base/parallel_2d.h similarity index 98% rename from source/module_base/parallel_2d.h rename to source/source_base/parallel_2d.h index 2f8bc8b132..4115c4df3e 100644 --- a/source/module_base/parallel_2d.h +++ b/source/source_base/parallel_2d.h @@ -4,7 +4,7 @@ #include #include -#include "module_base/blacs_connector.h" +#include "source_base/blacs_connector.h" /// @brief This class packs the basic information of /// 2D-block-cyclic parallel distribution of an arbitrary matrix. diff --git a/source/module_base/parallel_comm.cpp b/source/source_base/parallel_comm.cpp similarity index 100% rename from source/module_base/parallel_comm.cpp rename to source/source_base/parallel_comm.cpp diff --git a/source/module_base/parallel_comm.h b/source/source_base/parallel_comm.h similarity index 100% rename from source/module_base/parallel_comm.h rename to source/source_base/parallel_comm.h diff --git a/source/module_base/parallel_common.cpp b/source/source_base/parallel_common.cpp similarity index 100% rename from source/module_base/parallel_common.cpp rename to source/source_base/parallel_common.cpp diff --git a/source/module_base/parallel_common.h b/source/source_base/parallel_common.h similarity index 100% rename from source/module_base/parallel_common.h rename to source/source_base/parallel_common.h diff --git a/source/module_base/parallel_device.cpp b/source/source_base/parallel_device.cpp similarity index 100% rename from source/module_base/parallel_device.cpp rename to source/source_base/parallel_device.cpp diff --git a/source/module_base/parallel_device.h b/source/source_base/parallel_device.h similarity index 98% rename from source/module_base/parallel_device.h rename to source/source_base/parallel_device.h index 3ecc2f6aae..7293b375d7 100644 --- a/source/module_base/parallel_device.h +++ b/source/source_base/parallel_device.h @@ -2,8 +2,8 @@ #define __PARALLEL_DEVICE_H__ #ifdef __MPI #include "mpi.h" -#include "module_base/module_device/device.h" -#include "module_base/module_device/memory_op.h" +#include "source_base/module_device/device.h" +#include "source_base/module_device/memory_op.h" #include namespace Parallel_Common { diff --git a/source/module_base/parallel_global.cpp b/source/source_base/parallel_global.cpp similarity index 98% rename from source/module_base/parallel_global.cpp rename to source/source_base/parallel_global.cpp index ab76b0c872..7889b0f446 100644 --- a/source/module_base/parallel_global.cpp +++ b/source/source_base/parallel_global.cpp @@ -11,11 +11,11 @@ #include #endif -#include "module_base/global_function.h" -#include "module_base/parallel_common.h" -#include "module_base/parallel_reduce.h" +#include "source_base/global_function.h" +#include "source_base/parallel_common.h" +#include "source_base/parallel_reduce.h" #include "module_parameter/parameter.h" -// #include "module_base/tool_quit.h" +// #include "source_base/tool_quit.h" #include "source_main/version.h" #include @@ -157,7 +157,7 @@ void Parallel_Global::read_pal_param(int argc, // the user may take their own risk by set the OMP_NUM_THREADS env var. if (std::getenv("OMP_NUM_THREADS") == nullptr) { - // usage of WARNING_QUIT need module_base/tool_quit.cpp + // usage of WARNING_QUIT need source_base/tool_quit.cpp // lead to undefined error in unit_test building // ModuleBase::WARNING_QUIT( "Parallel_Global::read_pal_param","OMP_NUM_THREADS setting is invalid. Please set it to a proper value."); std::cerr << "ERROR: OMP_NUM_THREADS setting is invalid. Please set it to a proper value." << std::endl; diff --git a/source/module_base/parallel_global.h b/source/source_base/parallel_global.h similarity index 100% rename from source/module_base/parallel_global.h rename to source/source_base/parallel_global.h diff --git a/source/module_base/parallel_reduce.cpp b/source/source_base/parallel_reduce.cpp similarity index 100% rename from source/module_base/parallel_reduce.cpp rename to source/source_base/parallel_reduce.cpp diff --git a/source/module_base/parallel_reduce.h b/source/source_base/parallel_reduce.h similarity index 100% rename from source/module_base/parallel_reduce.h rename to source/source_base/parallel_reduce.h diff --git a/source/module_base/projgen.cpp b/source/source_base/projgen.cpp similarity index 98% rename from source/module_base/projgen.cpp rename to source/source_base/projgen.cpp index dc8d880019..681bc2a6f0 100644 --- a/source/module_base/projgen.cpp +++ b/source/source_base/projgen.cpp @@ -6,9 +6,9 @@ #include #include -#include "module_base/cubic_spline.h" -#include "module_base/math_integral.h" -#include "module_base/math_sphbes.h" +#include "source_base/cubic_spline.h" +#include "source_base/math_integral.h" +#include "source_base/math_sphbes.h" using namespace ModuleBase; diff --git a/source/module_base/projgen.h b/source/source_base/projgen.h similarity index 100% rename from source/module_base/projgen.h rename to source/source_base/projgen.h diff --git a/source/module_base/random.h b/source/source_base/random.h similarity index 100% rename from source/module_base/random.h rename to source/source_base/random.h diff --git a/source/module_base/realarray.cpp b/source/source_base/realarray.cpp similarity index 100% rename from source/module_base/realarray.cpp rename to source/source_base/realarray.cpp diff --git a/source/module_base/realarray.h b/source/source_base/realarray.h similarity index 100% rename from source/module_base/realarray.h rename to source/source_base/realarray.h diff --git a/source/module_base/scalapack_connector.h b/source/source_base/scalapack_connector.h similarity index 100% rename from source/module_base/scalapack_connector.h rename to source/source_base/scalapack_connector.h diff --git a/source/module_base/sph_bessel_recursive-d1.cpp b/source/source_base/sph_bessel_recursive-d1.cpp similarity index 100% rename from source/module_base/sph_bessel_recursive-d1.cpp rename to source/source_base/sph_bessel_recursive-d1.cpp diff --git a/source/module_base/sph_bessel_recursive-d2.cpp b/source/source_base/sph_bessel_recursive-d2.cpp similarity index 100% rename from source/module_base/sph_bessel_recursive-d2.cpp rename to source/source_base/sph_bessel_recursive-d2.cpp diff --git a/source/module_base/sph_bessel_recursive.h b/source/source_base/sph_bessel_recursive.h similarity index 100% rename from source/module_base/sph_bessel_recursive.h rename to source/source_base/sph_bessel_recursive.h diff --git a/source/module_base/spherical_bessel_transformer.cpp b/source/source_base/spherical_bessel_transformer.cpp similarity index 99% rename from source/module_base/spherical_bessel_transformer.cpp rename to source/source_base/spherical_bessel_transformer.cpp index 3fa6cb2a32..ce4ee7e847 100644 --- a/source/module_base/spherical_bessel_transformer.cpp +++ b/source/source_base/spherical_bessel_transformer.cpp @@ -1,4 +1,4 @@ -#include "module_base/spherical_bessel_transformer.h" +#include "source_base/spherical_bessel_transformer.h" #include #include @@ -7,8 +7,8 @@ #include #include -#include "module_base/math_integral.h" -#include "module_base/math_sphbes.h" +#include "source_base/math_integral.h" +#include "source_base/math_sphbes.h" namespace ModuleBase { diff --git a/source/module_base/spherical_bessel_transformer.h b/source/source_base/spherical_bessel_transformer.h similarity index 100% rename from source/module_base/spherical_bessel_transformer.h rename to source/source_base/spherical_bessel_transformer.h diff --git a/source/module_base/test/CMakeLists.txt b/source/source_base/test/CMakeLists.txt similarity index 100% rename from source/module_base/test/CMakeLists.txt rename to source/source_base/test/CMakeLists.txt diff --git a/source/module_base/test/abfs-vector3_order_test.cpp b/source/source_base/test/abfs-vector3_order_test.cpp similarity index 89% rename from source/module_base/test/abfs-vector3_order_test.cpp rename to source/source_base/test/abfs-vector3_order_test.cpp index 713fb38609..1a8f1b9569 100644 --- a/source/module_base/test/abfs-vector3_order_test.cpp +++ b/source/source_base/test/abfs-vector3_order_test.cpp @@ -1,5 +1,5 @@ -#include "module_base/abfs-vector3_order.h" -#include "module_base/vector3.h" +#include "source_base/abfs-vector3_order.h" +#include "source_base/vector3.h" #include "gtest/gtest.h" #include "module_ri/abfs.h" diff --git a/source/module_base/test/assoc_laguerre_test.cpp b/source/source_base/test/assoc_laguerre_test.cpp similarity index 99% rename from source/module_base/test/assoc_laguerre_test.cpp rename to source/source_base/test/assoc_laguerre_test.cpp index 142a0a87fc..c992f06f0c 100644 --- a/source/module_base/test/assoc_laguerre_test.cpp +++ b/source/source_base/test/assoc_laguerre_test.cpp @@ -1,6 +1,6 @@ #include #include -#include "module_base/assoc_laguerre.h" +#include "source_base/assoc_laguerre.h" #include // use standard library version for reference value /* Unittest for associated Laguerre polynomials diff --git a/source/module_base/test/atom_in_test.cpp b/source/source_base/test/atom_in_test.cpp similarity index 100% rename from source/module_base/test/atom_in_test.cpp rename to source/source_base/test/atom_in_test.cpp diff --git a/source/module_base/test/blas_connector_test.cpp b/source/source_base/test/blas_connector_test.cpp similarity index 100% rename from source/module_base/test/blas_connector_test.cpp rename to source/source_base/test/blas_connector_test.cpp diff --git a/source/module_base/test/clebsch_gordan_coeff_test.cpp b/source/source_base/test/clebsch_gordan_coeff_test.cpp similarity index 100% rename from source/module_base/test/clebsch_gordan_coeff_test.cpp rename to source/source_base/test/clebsch_gordan_coeff_test.cpp diff --git a/source/module_base/test/complexarray_test.cpp b/source/source_base/test/complexarray_test.cpp similarity index 100% rename from source/module_base/test/complexarray_test.cpp rename to source/source_base/test/complexarray_test.cpp diff --git a/source/module_base/test/complexmatrix_test.cpp b/source/source_base/test/complexmatrix_test.cpp similarity index 100% rename from source/module_base/test/complexmatrix_test.cpp rename to source/source_base/test/complexmatrix_test.cpp diff --git a/source/module_base/test/container_operator_test.cpp b/source/source_base/test/container_operator_test.cpp similarity index 100% rename from source/module_base/test/container_operator_test.cpp rename to source/source_base/test/container_operator_test.cpp diff --git a/source/module_base/test/cubic_spline_test.cpp b/source/source_base/test/cubic_spline_test.cpp similarity index 99% rename from source/module_base/test/cubic_spline_test.cpp rename to source/source_base/test/cubic_spline_test.cpp index b28f53ce14..ffe5461dc0 100644 --- a/source/module_base/test/cubic_spline_test.cpp +++ b/source/source_base/test/cubic_spline_test.cpp @@ -1,4 +1,4 @@ -#include "module_base/cubic_spline.h" +#include "source_base/cubic_spline.h" #include #include diff --git a/source/module_base/test/data/bjo.bin b/source/source_base/test/data/bjo.bin similarity index 100% rename from source/module_base/test/data/bjo.bin rename to source/source_base/test/data/bjo.bin diff --git a/source/module_base/test/data/bjxo.bin b/source/source_base/test/data/bjxo.bin similarity index 100% rename from source/module_base/test/data/bjxo.bin rename to source/source_base/test/data/bjxo.bin diff --git a/source/module_base/test/data/cos_periodic.dat b/source/source_base/test/data/cos_periodic.dat similarity index 100% rename from source/module_base/test/data/cos_periodic.dat rename to source/source_base/test/data/cos_periodic.dat diff --git a/source/module_base/test/data/exp_first_deriv.dat b/source/source_base/test/data/exp_first_deriv.dat similarity index 100% rename from source/module_base/test/data/exp_first_deriv.dat rename to source/source_base/test/data/exp_first_deriv.dat diff --git a/source/module_base/test/data/gen_ref.py b/source/source_base/test/data/gen_ref.py similarity index 100% rename from source/module_base/test/data/gen_ref.py rename to source/source_base/test/data/gen_ref.py diff --git a/source/module_base/test/data/log_second_deriv.dat b/source/source_base/test/data/log_second_deriv.dat similarity index 100% rename from source/module_base/test/data/log_second_deriv.dat rename to source/source_base/test/data/log_second_deriv.dat diff --git a/source/module_base/test/data/sin_not_a_knot.dat b/source/source_base/test/data/sin_not_a_knot.dat similarity index 100% rename from source/module_base/test/data/sin_not_a_knot.dat rename to source/source_base/test/data/sin_not_a_knot.dat diff --git a/source/module_base/test/data/sqrt_mix_bc.dat b/source/source_base/test/data/sqrt_mix_bc.dat similarity index 100% rename from source/module_base/test/data/sqrt_mix_bc.dat rename to source/source_base/test/data/sqrt_mix_bc.dat diff --git a/source/module_base/test/data/three_points_not_a_knot.dat b/source/source_base/test/data/three_points_not_a_knot.dat similarity index 100% rename from source/module_base/test/data/three_points_not_a_knot.dat rename to source/source_base/test/data/three_points_not_a_knot.dat diff --git a/source/module_base/test/data/two_points_first_deriv.dat b/source/source_base/test/data/two_points_first_deriv.dat similarity index 100% rename from source/module_base/test/data/two_points_first_deriv.dat rename to source/source_base/test/data/two_points_first_deriv.dat diff --git a/source/module_base/test/data/two_points_periodic.dat b/source/source_base/test/data/two_points_periodic.dat similarity index 100% rename from source/module_base/test/data/two_points_periodic.dat rename to source/source_base/test/data/two_points_periodic.dat diff --git a/source/module_base/test/data/two_points_second_deriv.dat b/source/source_base/test/data/two_points_second_deriv.dat similarity index 100% rename from source/module_base/test/data/two_points_second_deriv.dat rename to source/source_base/test/data/two_points_second_deriv.dat diff --git a/source/module_base/test/element_basis_index_test.cpp b/source/source_base/test/element_basis_index_test.cpp similarity index 100% rename from source/module_base/test/element_basis_index_test.cpp rename to source/source_base/test/element_basis_index_test.cpp diff --git a/source/module_base/test/formatter_test.cpp b/source/source_base/test/formatter_test.cpp similarity index 99% rename from source/module_base/test/formatter_test.cpp rename to source/source_base/test/formatter_test.cpp index 20696e1357..8d1ad9e8cb 100644 --- a/source/module_base/test/formatter_test.cpp +++ b/source/source_base/test/formatter_test.cpp @@ -1,4 +1,4 @@ -#include "module_base/formatter.h" +#include "source_base/formatter.h" #include #include #include diff --git a/source/module_base/test/global_file_test.cpp b/source/source_base/test/global_file_test.cpp similarity index 98% rename from source/module_base/test/global_file_test.cpp rename to source/source_base/test/global_file_test.cpp index 365782cd80..6917fb4b8f 100644 --- a/source/module_base/test/global_file_test.cpp +++ b/source/source_base/test/global_file_test.cpp @@ -108,7 +108,7 @@ TEST_F(GlobalFile,closealllog) { /* For module_io/input.cpp:line3578 close_log() is a void function, - All its contents is calling close_all_log() in module_base/global_file.cpp + All its contents is calling close_all_log() in source_base/global_file.cpp For Input::close_log() what is left to test are the validities of parameters GlobalV::MY_RANK and this->out_alllog. */ diff --git a/source/module_base/test/global_function_test.cpp b/source/source_base/test/global_function_test.cpp similarity index 100% rename from source/module_base/test/global_function_test.cpp rename to source/source_base/test/global_function_test.cpp diff --git a/source/module_base/test/gram_schmidt_orth_test.cpp b/source/source_base/test/gram_schmidt_orth_test.cpp similarity index 100% rename from source/module_base/test/gram_schmidt_orth_test.cpp rename to source/source_base/test/gram_schmidt_orth_test.cpp diff --git a/source/module_base/test/intarray_test.cpp b/source/source_base/test/intarray_test.cpp similarity index 100% rename from source/module_base/test/intarray_test.cpp rename to source/source_base/test/intarray_test.cpp diff --git a/source/module_base/test/inverse_matrix_test.cpp b/source/source_base/test/inverse_matrix_test.cpp similarity index 100% rename from source/module_base/test/inverse_matrix_test.cpp rename to source/source_base/test/inverse_matrix_test.cpp diff --git a/source/module_base/test/lapack_connector_test.cpp b/source/source_base/test/lapack_connector_test.cpp similarity index 100% rename from source/module_base/test/lapack_connector_test.cpp rename to source/source_base/test/lapack_connector_test.cpp diff --git a/source/module_base/test/math_bspline_test.cpp b/source/source_base/test/math_bspline_test.cpp similarity index 100% rename from source/module_base/test/math_bspline_test.cpp rename to source/source_base/test/math_bspline_test.cpp diff --git a/source/module_base/test/math_chebyshev_test.cpp b/source/source_base/test/math_chebyshev_test.cpp similarity index 100% rename from source/module_base/test/math_chebyshev_test.cpp rename to source/source_base/test/math_chebyshev_test.cpp diff --git a/source/module_base/test/math_integral_test.cpp b/source/source_base/test/math_integral_test.cpp similarity index 99% rename from source/module_base/test/math_integral_test.cpp rename to source/source_base/test/math_integral_test.cpp index eded83f76d..d9034b297b 100644 --- a/source/module_base/test/math_integral_test.cpp +++ b/source/source_base/test/math_integral_test.cpp @@ -5,7 +5,7 @@ #include #include -#include "module_base/constants.h" +#include "source_base/constants.h" #define doublethreshold 1e-12 diff --git a/source/module_base/test/math_polyint_test.cpp b/source/source_base/test/math_polyint_test.cpp similarity index 100% rename from source/module_base/test/math_polyint_test.cpp rename to source/source_base/test/math_polyint_test.cpp diff --git a/source/module_base/test/math_sphbes_test.cpp b/source/source_base/test/math_sphbes_test.cpp similarity index 100% rename from source/module_base/test/math_sphbes_test.cpp rename to source/source_base/test/math_sphbes_test.cpp diff --git a/source/module_base/test/math_ylmreal_test.cpp b/source/source_base/test/math_ylmreal_test.cpp similarity index 99% rename from source/module_base/test/math_ylmreal_test.cpp rename to source/source_base/test/math_ylmreal_test.cpp index 891c948f7e..0ecd1badd0 100644 --- a/source/module_base/test/math_ylmreal_test.cpp +++ b/source/source_base/test/math_ylmreal_test.cpp @@ -5,7 +5,7 @@ #include"gtest/gtest.h" #include #include "module_psi/psi.h" -#include "module_base/array_pool.h" +#include "source_base/array_pool.h" #define doublethreshold 1e-12 diff --git a/source/module_base/test/mathzone_add1_test.cpp b/source/source_base/test/mathzone_add1_test.cpp similarity index 100% rename from source/module_base/test/mathzone_add1_test.cpp rename to source/source_base/test/mathzone_add1_test.cpp diff --git a/source/module_base/test/mathzone_test.cpp b/source/source_base/test/mathzone_test.cpp similarity index 100% rename from source/module_base/test/mathzone_test.cpp rename to source/source_base/test/mathzone_test.cpp diff --git a/source/module_base/test/matrix3_test.cpp b/source/source_base/test/matrix3_test.cpp similarity index 100% rename from source/module_base/test/matrix3_test.cpp rename to source/source_base/test/matrix3_test.cpp diff --git a/source/module_base/test/matrix_test.cpp b/source/source_base/test/matrix_test.cpp similarity index 100% rename from source/module_base/test/matrix_test.cpp rename to source/source_base/test/matrix_test.cpp diff --git a/source/module_base/test/memory_test.cpp b/source/source_base/test/memory_test.cpp similarity index 100% rename from source/module_base/test/memory_test.cpp rename to source/source_base/test/memory_test.cpp diff --git a/source/module_base/test/mymath_test.cpp b/source/source_base/test/mymath_test.cpp similarity index 100% rename from source/module_base/test/mymath_test.cpp rename to source/source_base/test/mymath_test.cpp diff --git a/source/module_base/test/ndarray_test.cpp b/source/source_base/test/ndarray_test.cpp similarity index 99% rename from source/module_base/test/ndarray_test.cpp rename to source/source_base/test/ndarray_test.cpp index b31d04144d..835f9c7971 100644 --- a/source/module_base/test/ndarray_test.cpp +++ b/source/source_base/test/ndarray_test.cpp @@ -1,5 +1,5 @@ #include -#include "module_base/ndarray.h" +#include "source_base/ndarray.h" #include // TEST(NDArray, Constructor) diff --git a/source/module_base/test/opt_CG_test.cpp b/source/source_base/test/opt_CG_test.cpp similarity index 100% rename from source/module_base/test/opt_CG_test.cpp rename to source/source_base/test/opt_CG_test.cpp diff --git a/source/module_base/test/opt_TN_test.cpp b/source/source_base/test/opt_TN_test.cpp similarity index 100% rename from source/module_base/test/opt_TN_test.cpp rename to source/source_base/test/opt_TN_test.cpp diff --git a/source/module_base/test/opt_test_tools.cpp b/source/source_base/test/opt_test_tools.cpp similarity index 100% rename from source/module_base/test/opt_test_tools.cpp rename to source/source_base/test/opt_test_tools.cpp diff --git a/source/module_base/test/opt_test_tools.h b/source/source_base/test/opt_test_tools.h similarity index 100% rename from source/module_base/test/opt_test_tools.h rename to source/source_base/test/opt_test_tools.h diff --git a/source/module_base/test/perf_sphbes_test.cpp b/source/source_base/test/perf_sphbes_test.cpp similarity index 100% rename from source/module_base/test/perf_sphbes_test.cpp rename to source/source_base/test/perf_sphbes_test.cpp diff --git a/source/module_base/test/realarray_test.cpp b/source/source_base/test/realarray_test.cpp similarity index 100% rename from source/module_base/test/realarray_test.cpp rename to source/source_base/test/realarray_test.cpp diff --git a/source/module_base/test/sph_bessel_recursive_test.cpp b/source/source_base/test/sph_bessel_recursive_test.cpp similarity index 100% rename from source/module_base/test/sph_bessel_recursive_test.cpp rename to source/source_base/test/sph_bessel_recursive_test.cpp diff --git a/source/module_base/test/spherical_bessel_transformer_test.cpp b/source/source_base/test/spherical_bessel_transformer_test.cpp similarity index 99% rename from source/module_base/test/spherical_bessel_transformer_test.cpp rename to source/source_base/test/spherical_bessel_transformer_test.cpp index b282736160..ea4b2d8e4f 100644 --- a/source/module_base/test/spherical_bessel_transformer_test.cpp +++ b/source/source_base/test/spherical_bessel_transformer_test.cpp @@ -1,10 +1,10 @@ -#include "module_base/spherical_bessel_transformer.h" +#include "source_base/spherical_bessel_transformer.h" #include #include #include "gtest/gtest.h" -#include "module_base/constants.h" +#include "source_base/constants.h" #ifdef __MPI #include diff --git a/source/module_base/test/test_lebedev_laikov.cpp b/source/source_base/test/test_lebedev_laikov.cpp similarity index 97% rename from source/module_base/test/test_lebedev_laikov.cpp rename to source/source_base/test/test_lebedev_laikov.cpp index f0758c6ae4..c9e138cb21 100644 --- a/source/module_base/test/test_lebedev_laikov.cpp +++ b/source/source_base/test/test_lebedev_laikov.cpp @@ -1,5 +1,5 @@ -#include "module_base/math_lebedev_laikov.h" -#include "module_base/ylm.h" +#include "source_base/math_lebedev_laikov.h" +#include "source_base/ylm.h" #include "gtest/gtest.h" #include diff --git a/source/module_base/test/timer_test.cpp b/source/source_base/test/timer_test.cpp similarity index 100% rename from source/module_base/test/timer_test.cpp rename to source/source_base/test/timer_test.cpp diff --git a/source/module_base/test/tool_check_test.cpp b/source/source_base/test/tool_check_test.cpp similarity index 100% rename from source/module_base/test/tool_check_test.cpp rename to source/source_base/test/tool_check_test.cpp diff --git a/source/module_base/test/tool_quit_no_exit.cpp b/source/source_base/test/tool_quit_no_exit.cpp similarity index 100% rename from source/module_base/test/tool_quit_no_exit.cpp rename to source/source_base/test/tool_quit_no_exit.cpp diff --git a/source/module_base/test/tool_quit_test.cpp b/source/source_base/test/tool_quit_test.cpp similarity index 100% rename from source/module_base/test/tool_quit_test.cpp rename to source/source_base/test/tool_quit_test.cpp diff --git a/source/module_base/test/tool_threading_test.cpp b/source/source_base/test/tool_threading_test.cpp similarity index 100% rename from source/module_base/test/tool_threading_test.cpp rename to source/source_base/test/tool_threading_test.cpp diff --git a/source/module_base/test/tool_title_test.cpp b/source/source_base/test/tool_title_test.cpp similarity index 100% rename from source/module_base/test/tool_title_test.cpp rename to source/source_base/test/tool_title_test.cpp diff --git a/source/module_base/test/vector3_test.cpp b/source/source_base/test/vector3_test.cpp similarity index 100% rename from source/module_base/test/vector3_test.cpp rename to source/source_base/test/vector3_test.cpp diff --git a/source/module_base/test/ylm_test.cpp b/source/source_base/test/ylm_test.cpp similarity index 100% rename from source/module_base/test/ylm_test.cpp rename to source/source_base/test/ylm_test.cpp diff --git a/source/module_base/test_parallel/CMakeLists.txt b/source/source_base/test_parallel/CMakeLists.txt similarity index 100% rename from source/module_base/test_parallel/CMakeLists.txt rename to source/source_base/test_parallel/CMakeLists.txt diff --git a/source/module_base/test_parallel/blacs_connector_test.cpp b/source/source_base/test_parallel/blacs_connector_test.cpp similarity index 100% rename from source/module_base/test_parallel/blacs_connector_test.cpp rename to source/source_base/test_parallel/blacs_connector_test.cpp diff --git a/source/module_base/test_parallel/blacs_connector_test.sh b/source/source_base/test_parallel/blacs_connector_test.sh similarity index 100% rename from source/module_base/test_parallel/blacs_connector_test.sh rename to source/source_base/test_parallel/blacs_connector_test.sh diff --git a/source/module_base/test_parallel/math_chebyshev_mpi_test.cpp b/source/source_base/test_parallel/math_chebyshev_mpi_test.cpp similarity index 99% rename from source/module_base/test_parallel/math_chebyshev_mpi_test.cpp rename to source/source_base/test_parallel/math_chebyshev_mpi_test.cpp index 5ca222bb3c..09bcfb1bab 100644 --- a/source/module_base/test_parallel/math_chebyshev_mpi_test.cpp +++ b/source/source_base/test_parallel/math_chebyshev_mpi_test.cpp @@ -1,6 +1,6 @@ #include "../math_chebyshev.h" #include "mpi.h" -#include "module_base/parallel_comm.h" +#include "source_base/parallel_comm.h" #include "gmock/gmock.h" #include "gtest/gtest.h" /************************************************ diff --git a/source/module_base/test_parallel/parallel_2d_test.cpp b/source/source_base/test_parallel/parallel_2d_test.cpp similarity index 100% rename from source/module_base/test_parallel/parallel_2d_test.cpp rename to source/source_base/test_parallel/parallel_2d_test.cpp diff --git a/source/module_base/test_parallel/parallel_2d_test.sh b/source/source_base/test_parallel/parallel_2d_test.sh similarity index 100% rename from source/module_base/test_parallel/parallel_2d_test.sh rename to source/source_base/test_parallel/parallel_2d_test.sh diff --git a/source/module_base/test_parallel/parallel_common_test.cpp b/source/source_base/test_parallel/parallel_common_test.cpp similarity index 96% rename from source/module_base/test_parallel/parallel_common_test.cpp rename to source/source_base/test_parallel/parallel_common_test.cpp index 111eef0884..a3d526ab5b 100644 --- a/source/module_base/test_parallel/parallel_common_test.cpp +++ b/source/source_base/test_parallel/parallel_common_test.cpp @@ -1,5 +1,5 @@ #ifdef __MPI -#include "module_base/parallel_common.h" +#include "source_base/parallel_common.h" #include "mpi.h" @@ -14,7 +14,7 @@ /** * The tested functions are wrappers of MPI_Bcast - * in ABACUS, as defined in module_base/parallel_common.h. + * in ABACUS, as defined in source_base/parallel_common.h. * The source is process 0 in all MPI_Bcast * wrappers. */ diff --git a/source/module_base/test_parallel/parallel_common_test.sh b/source/source_base/test_parallel/parallel_common_test.sh similarity index 100% rename from source/module_base/test_parallel/parallel_common_test.sh rename to source/source_base/test_parallel/parallel_common_test.sh diff --git a/source/module_base/test_parallel/parallel_global_test.cpp b/source/source_base/test_parallel/parallel_global_test.cpp similarity index 99% rename from source/module_base/test_parallel/parallel_global_test.cpp rename to source/source_base/test_parallel/parallel_global_test.cpp index 8b9e5053a4..bb31af30bc 100644 --- a/source/module_base/test_parallel/parallel_global_test.cpp +++ b/source/source_base/test_parallel/parallel_global_test.cpp @@ -1,5 +1,5 @@ #ifdef __MPI -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" diff --git a/source/module_base/test_parallel/parallel_global_test.sh b/source/source_base/test_parallel/parallel_global_test.sh similarity index 100% rename from source/module_base/test_parallel/parallel_global_test.sh rename to source/source_base/test_parallel/parallel_global_test.sh diff --git a/source/module_base/test_parallel/parallel_reduce_test.cpp b/source/source_base/test_parallel/parallel_reduce_test.cpp similarity index 99% rename from source/module_base/test_parallel/parallel_reduce_test.cpp rename to source/source_base/test_parallel/parallel_reduce_test.cpp index 50d1290899..696de3b485 100644 --- a/source/module_base/test_parallel/parallel_reduce_test.cpp +++ b/source/source_base/test_parallel/parallel_reduce_test.cpp @@ -1,7 +1,7 @@ #ifdef __MPI -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_reduce.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #include "gtest/gtest.h" @@ -15,7 +15,7 @@ /** * The tested functions are mainly wrappers of MPI_Allreduce - * and MPI_Allgather in ABACUS, as defined in module_base/ + * and MPI_Allgather in ABACUS, as defined in source_base/ * parallel_reduce.h. * * The logic to test MPI_Allreduce wrapper functions is to diff --git a/source/module_base/test_parallel/parallel_reduce_test.sh b/source/source_base/test_parallel/parallel_reduce_test.sh similarity index 100% rename from source/module_base/test_parallel/parallel_reduce_test.sh rename to source/source_base/test_parallel/parallel_reduce_test.sh diff --git a/source/module_base/test_parallel/test_para_gemm.cpp b/source/source_base/test_parallel/test_para_gemm.cpp similarity index 100% rename from source/module_base/test_parallel/test_para_gemm.cpp rename to source/source_base/test_parallel/test_para_gemm.cpp diff --git a/source/module_base/timer.cpp b/source/source_base/timer.cpp similarity index 99% rename from source/module_base/timer.cpp rename to source/source_base/timer.cpp index 1c2b9d8e59..f7a4be636d 100644 --- a/source/module_base/timer.cpp +++ b/source/source_base/timer.cpp @@ -12,7 +12,7 @@ #include #include "chrono" -#include "module_base/formatter.h" +#include "source_base/formatter.h" namespace ModuleBase { diff --git a/source/module_base/timer.h b/source/source_base/timer.h similarity index 100% rename from source/module_base/timer.h rename to source/source_base/timer.h diff --git a/source/module_base/tool_check.cpp b/source/source_base/tool_check.cpp similarity index 100% rename from source/module_base/tool_check.cpp rename to source/source_base/tool_check.cpp diff --git a/source/module_base/tool_check.h b/source/source_base/tool_check.h similarity index 100% rename from source/module_base/tool_check.h rename to source/source_base/tool_check.h diff --git a/source/module_base/tool_quit.cpp b/source/source_base/tool_quit.cpp similarity index 100% rename from source/module_base/tool_quit.cpp rename to source/source_base/tool_quit.cpp diff --git a/source/module_base/tool_quit.h b/source/source_base/tool_quit.h similarity index 100% rename from source/module_base/tool_quit.h rename to source/source_base/tool_quit.h diff --git a/source/module_base/tool_threading.h b/source/source_base/tool_threading.h similarity index 100% rename from source/module_base/tool_threading.h rename to source/source_base/tool_threading.h diff --git a/source/module_base/tool_title.cpp b/source/source_base/tool_title.cpp similarity index 100% rename from source/module_base/tool_title.cpp rename to source/source_base/tool_title.cpp diff --git a/source/module_base/tool_title.h b/source/source_base/tool_title.h similarity index 100% rename from source/module_base/tool_title.h rename to source/source_base/tool_title.h diff --git a/source/module_base/vector3.h b/source/source_base/vector3.h similarity index 100% rename from source/module_base/vector3.h rename to source/source_base/vector3.h diff --git a/source/module_base/ylm.cpp b/source/source_base/ylm.cpp similarity index 100% rename from source/module_base/ylm.cpp rename to source/source_base/ylm.cpp diff --git a/source/module_base/ylm.h b/source/source_base/ylm.h similarity index 100% rename from source/module_base/ylm.h rename to source/source_base/ylm.h diff --git a/source/source_esolver/esolver.cpp b/source/source_esolver/esolver.cpp index c3a7c4d5bc..44247224de 100644 --- a/source/source_esolver/esolver.cpp +++ b/source/source_esolver/esolver.cpp @@ -2,7 +2,7 @@ #include "esolver_ks_pw.h" #include "esolver_sdft_pw.h" -#include "module_base/module_device/device.h" +#include "source_base/module_device/device.h" #include "module_parameter/parameter.h" #ifdef __LCAO #include "esolver_dm2rho.h" @@ -13,7 +13,7 @@ #include "module_lr/esolver_lrtd_lcao.h" extern "C" { -#include "module_base/blacs_connector.h" +#include "source_base/blacs_connector.h" } #endif #include "esolver_dp.h" diff --git a/source/source_esolver/esolver.h b/source/source_esolver/esolver.h index d889052348..c24512c28c 100644 --- a/source/source_esolver/esolver.h +++ b/source/source_esolver/esolver.h @@ -1,7 +1,7 @@ #ifndef ESOLVER_H #define ESOLVER_H -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "module_cell/unitcell.h" #include "module_parameter/parameter.h" diff --git a/source/source_esolver/esolver_dm2rho.cpp b/source/source_esolver/esolver_dm2rho.cpp index 2a10c71306..313eb0aeae 100644 --- a/source/source_esolver/esolver_dm2rho.cpp +++ b/source/source_esolver/esolver_dm2rho.cpp @@ -1,6 +1,6 @@ #include "esolver_dm2rho.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_cell/module_neighbor/sltk_atom_arrange.h" #include "module_elecstate/elecstate_lcao.h" #include "module_elecstate/read_pseudo.h" diff --git a/source/source_esolver/esolver_dp.cpp b/source/source_esolver/esolver_dp.cpp index 1ca9939c35..bb9666aeaf 100644 --- a/source/source_esolver/esolver_dp.cpp +++ b/source/source_esolver/esolver_dp.cpp @@ -19,8 +19,8 @@ */ #include "esolver_dp.h" -#include "module_base/parallel_common.h" -#include "module_base/timer.h" +#include "source_base/parallel_common.h" +#include "source_base/timer.h" #include "module_io/output_log.h" #include "module_io/cif_io.h" diff --git a/source/source_esolver/esolver_fp.cpp b/source/source_esolver/esolver_fp.cpp index 5aebb6724e..8318a26179 100644 --- a/source/source_esolver/esolver_fp.cpp +++ b/source/source_esolver/esolver_fp.cpp @@ -1,6 +1,6 @@ #include "esolver_fp.h" -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" #include "module_elecstate/cal_ux.h" #include "module_elecstate/module_charge/symmetry_rho.h" #include "module_elecstate/read_pseudo.h" diff --git a/source/source_esolver/esolver_gets.cpp b/source/source_esolver/esolver_gets.cpp index 734790ca1c..bc00f18300 100644 --- a/source/source_esolver/esolver_gets.cpp +++ b/source/source_esolver/esolver_gets.cpp @@ -1,6 +1,6 @@ #include "esolver_gets.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_cell/module_neighbor/sltk_atom_arrange.h" #include "module_elecstate/elecstate_lcao.h" #include "module_elecstate/read_pseudo.h" diff --git a/source/source_esolver/esolver_ks.cpp b/source/source_esolver/esolver_ks.cpp index 9bfca23bfd..3f11ab4ae1 100644 --- a/source/source_esolver/esolver_ks.cpp +++ b/source/source_esolver/esolver_ks.cpp @@ -3,8 +3,8 @@ // To setup plane wave for electronic wave functions #include "pw_setup.h" -#include "module_base/timer.h" -#include "module_base/global_variable.h" +#include "source_base/timer.h" +#include "source_base/global_variable.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_parameter/parameter.h" #include "module_hamilt_lcao/module_dftu/dftu.h" diff --git a/source/source_esolver/esolver_ks_lcao.cpp b/source/source_esolver/esolver_ks_lcao.cpp index ab4bac8ae7..7c565a6fde 100644 --- a/source/source_esolver/esolver_ks_lcao.cpp +++ b/source/source_esolver/esolver_ks_lcao.cpp @@ -2,9 +2,9 @@ #include "module_io/write_proj_band_lcao.h" // projcted band structure -#include "module_base/formatter.h" -#include "module_base/global_variable.h" -#include "module_base/tool_title.h" +#include "source_base/formatter.h" +#include "source_base/global_variable.h" +#include "source_base/tool_title.h" #include "module_elecstate/elecstate_tools.h" #include "module_elecstate/module_dm/cal_dm_psi.h" @@ -34,7 +34,7 @@ #include "module_io/write_vxc.hpp" #include "module_io/write_vxc_r.hpp" -#include "module_base/global_function.h" +#include "source_base/global_function.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" #include "module_elecstate/cal_ux.h" #include "module_elecstate/module_charge/symmetry_rho.h" diff --git a/source/source_esolver/esolver_ks_lcao_tddft.cpp b/source/source_esolver/esolver_ks_lcao_tddft.cpp index b338d7e2dc..b6d6d260d6 100644 --- a/source/source_esolver/esolver_ks_lcao_tddft.cpp +++ b/source/source_esolver/esolver_ks_lcao_tddft.cpp @@ -8,10 +8,10 @@ #include "module_elecstate/elecstate_tools.h" //--------------temporary---------------------------- -#include "module_base/blas_connector.h" -#include "module_base/global_function.h" -#include "module_base/lapack_connector.h" -#include "module_base/scalapack_connector.h" +#include "source_base/blas_connector.h" +#include "source_base/global_function.h" +#include "source_base/lapack_connector.h" +#include "source_base/scalapack_connector.h" #include "module_elecstate/module_charge/symmetry_rho.h" #include "module_elecstate/module_dm/cal_dm_psi.h" #include "module_elecstate/module_dm/cal_edm_tddft.h" diff --git a/source/source_esolver/esolver_ks_lcao_tddft.h b/source/source_esolver/esolver_ks_lcao_tddft.h index 862b16a6ca..25ed68bcc5 100644 --- a/source/source_esolver/esolver_ks_lcao_tddft.h +++ b/source/source_esolver/esolver_ks_lcao_tddft.h @@ -2,7 +2,7 @@ #define ESOLVER_KS_LCAO_TDDFT_H #include "esolver_ks.h" #include "esolver_ks_lcao.h" -#include "module_base/scalapack_connector.h" // Cpxgemr2d +#include "source_base/scalapack_connector.h" // Cpxgemr2d #include "module_hamilt_lcao/hamilt_lcaodft/record_adj.h" #include "module_psi/psi.h" diff --git a/source/source_esolver/esolver_ks_lcaopw.cpp b/source/source_esolver/esolver_ks_lcaopw.cpp index 2f07137996..d9ddcdb52c 100644 --- a/source/source_esolver/esolver_ks_lcaopw.cpp +++ b/source/source_esolver/esolver_ks_lcaopw.cpp @@ -18,14 +18,14 @@ //-----stress------------------ #include "module_hamilt_pw/hamilt_pwdft/stress_pw.h" //--------------------------------------------------- -#include "module_base/memory.h" +#include "source_base/memory.h" #include "module_elecstate/elecstate_pw.h" #include "module_hamilt_pw/hamilt_pwdft/hamilt_lcaopw.h" #include "module_hamilt_pw/hamilt_pwdft/hamilt_pw.h" #include "source_hsolver/diago_iter_assist.h" #include "source_hsolver/hsolver_lcaopw.h" #include "source_hsolver/kernels/dngvd_op.h" -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/kernels/math_kernel_op.h" #include "module_io/berryphase.h" #include "module_io/numerical_basis.h" #include "module_io/numerical_descriptor.h" diff --git a/source/source_esolver/esolver_ks_pw.cpp b/source/source_esolver/esolver_ks_pw.cpp index 7ead98436b..366f92b15d 100644 --- a/source/source_esolver/esolver_ks_pw.cpp +++ b/source/source_esolver/esolver_ks_pw.cpp @@ -1,9 +1,9 @@ #include "esolver_ks_pw.h" -#include "module_base/formatter.h" -#include "module_base/global_variable.h" -#include "module_base/kernels/math_kernel_op.h" -#include "module_base/memory.h" +#include "source_base/formatter.h" +#include "source_base/global_variable.h" +#include "source_base/kernels/math_kernel_op.h" +#include "source_base/memory.h" #include "module_elecstate/cal_ux.h" #include "module_elecstate/elecstate_pw.h" #include "module_elecstate/elecstate_pw_sdft.h" @@ -44,7 +44,7 @@ #include #ifdef __DSP -#include "module_base/kernels/dsp/dsp_connector.h" +#include "source_base/kernels/dsp/dsp_connector.h" #endif #include diff --git a/source/source_esolver/esolver_ks_pw.h b/source/source_esolver/esolver_ks_pw.h index c165086177..adc48dae30 100644 --- a/source/source_esolver/esolver_ks_pw.h +++ b/source/source_esolver/esolver_ks_pw.h @@ -7,7 +7,7 @@ #include "module_hamilt_pw/hamilt_pwdft/global.h" #include -#include +#include namespace ModuleESolver { diff --git a/source/source_esolver/esolver_of.cpp b/source/source_esolver/esolver_of.cpp index f19e65a538..42791b387f 100644 --- a/source/source_esolver/esolver_of.cpp +++ b/source/source_esolver/esolver_of.cpp @@ -5,7 +5,7 @@ #include "module_io/output_log.h" #include "module_io/write_elecstat_pot.h" //-----------temporary------------------------- -#include "module_base/global_function.h" +#include "source_base/global_function.h" #include "module_elecstate/module_charge/symmetry_rho.h" #include "module_hamilt_general/module_ewald/H_Ewald_pw.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/source_esolver/esolver_of.h b/source/source_esolver/esolver_of.h index 222dfd74fc..301253041c 100644 --- a/source/source_esolver/esolver_of.h +++ b/source/source_esolver/esolver_of.h @@ -2,8 +2,8 @@ #define ESOLVER_OF_H #include "esolver_fp.h" -#include "module_base/opt_DCsrch.h" -#include "module_base/opt_TN.hpp" +#include "source_base/opt_DCsrch.h" +#include "source_base/opt_TN.hpp" #include "module_elecstate/module_charge/charge.h" #include "module_hamilt_pw/hamilt_ofdft/kedf_lkt.h" #include "module_hamilt_pw/hamilt_ofdft/kedf_tf.h" diff --git a/source/source_esolver/esolver_of_tool.cpp b/source/source_esolver/esolver_of_tool.cpp index 48f44e5fe8..efa3980b8f 100644 --- a/source/source_esolver/esolver_of_tool.cpp +++ b/source/source_esolver/esolver_of_tool.cpp @@ -1,6 +1,6 @@ #include "esolver_of.h" -#include "module_base/formatter.h" -#include "module_base/memory.h" +#include "source_base/formatter.h" +#include "source_base/memory.h" #include "module_elecstate/module_pot/efield.h" #include "module_elecstate/module_pot/gatefield.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/source_esolver/esolver_sdft_pw.cpp b/source/source_esolver/esolver_sdft_pw.cpp index 6559b3a778..f8bd9d1864 100644 --- a/source/source_esolver/esolver_sdft_pw.cpp +++ b/source/source_esolver/esolver_sdft_pw.cpp @@ -1,7 +1,7 @@ #include "esolver_sdft_pw.h" -#include "module_base/global_variable.h" -#include "module_base/memory.h" +#include "source_base/global_variable.h" +#include "source_base/memory.h" #include "module_elecstate/module_charge/symmetry_rho.h" #include "module_hamilt_pw/hamilt_stodft/sto_dos.h" #include "module_hamilt_pw/hamilt_stodft/sto_elecond.h" diff --git a/source/source_esolver/lcao_before_scf.cpp b/source/source_esolver/lcao_before_scf.cpp index 58a6ea441d..f328b786e3 100644 --- a/source/source_esolver/lcao_before_scf.cpp +++ b/source/source_esolver/lcao_before_scf.cpp @@ -4,7 +4,7 @@ #include "module_hamilt_lcao/module_dftu/dftu.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" // -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_cell/module_neighbor/sltk_atom_arrange.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" #include "module_io/berryphase.h" @@ -19,7 +19,7 @@ #ifdef __MLALGO #include "module_hamilt_lcao/module_deepks/LCAO_deepks.h" #endif -#include "module_base/formatter.h" +#include "source_base/formatter.h" #include "module_elecstate/elecstate_lcao.h" #include "module_elecstate/module_dm/cal_dm_psi.h" #include "module_hamilt_lcao/hamilt_lcaodft/LCAO_domain.h" diff --git a/source/source_esolver/lcao_others.cpp b/source/source_esolver/lcao_others.cpp index 1f60903d61..b9a38e1c7f 100644 --- a/source/source_esolver/lcao_others.cpp +++ b/source/source_esolver/lcao_others.cpp @@ -5,7 +5,7 @@ #include "module_hamilt_lcao/module_dftu/dftu.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" // -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_cell/module_neighbor/sltk_atom_arrange.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" #include "module_io/berryphase.h" @@ -18,7 +18,7 @@ #ifdef __MLALGO #include "module_hamilt_lcao/module_deepks/LCAO_deepks.h" #endif -#include "module_base/formatter.h" +#include "source_base/formatter.h" #include "module_elecstate/elecstate_lcao.h" #include "module_elecstate/module_dm/cal_dm_psi.h" diff --git a/source/source_esolver/pw_others.cpp b/source/source_esolver/pw_others.cpp index 013e4eb9d7..53556d229b 100644 --- a/source/source_esolver/pw_others.cpp +++ b/source/source_esolver/pw_others.cpp @@ -1,6 +1,6 @@ #include "esolver_ks_pw.h" -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" #include "module_hamilt_pw/hamilt_pwdft/elecond.h" #include "module_io/input_conv.h" #include "module_io/nscf_band.h" @@ -19,15 +19,15 @@ //-----stress------------------ #include "module_hamilt_pw/hamilt_pwdft/stress_pw.h" //--------------------------------------------------- -#include "module_base/memory.h" -#include "module_base/module_device/device.h" +#include "source_base/memory.h" +#include "source_base/module_device/device.h" #include "module_elecstate/elecstate_pw.h" #include "module_hamilt_general/module_vdw/vdw.h" #include "module_hamilt_pw/hamilt_pwdft/hamilt_pw.h" #include "source_hsolver/diago_iter_assist.h" #include "source_hsolver/hsolver_pw.h" #include "source_hsolver/kernels/dngvd_op.h" -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/kernels/math_kernel_op.h" #include "module_io/berryphase.h" #include "module_io/numerical_basis.h" #include "module_io/numerical_descriptor.h" @@ -39,7 +39,7 @@ #include #include -#include "module_base/formatter.h" +#include "source_base/formatter.h" // mohan add 2025-03-06 #include "module_io/cal_test.h" diff --git a/source/source_esolver/pw_setup.cpp b/source/source_esolver/pw_setup.cpp index b3f6cb9a07..3478fc5724 100644 --- a/source/source_esolver/pw_setup.cpp +++ b/source/source_esolver/pw_setup.cpp @@ -1,7 +1,7 @@ #include "pw_setup.h" // To get POOL_WORLD -#include "module_base/parallel_comm.h" +#include "source_base/parallel_comm.h" // Print information #include "module_io/print_info.h" diff --git a/source/source_hsolver/diag_const_nums.h b/source/source_hsolver/diag_const_nums.h index 24a33194e1..05520e4e84 100644 --- a/source/source_hsolver/diag_const_nums.h +++ b/source/source_hsolver/diag_const_nums.h @@ -1,6 +1,6 @@ #ifndef DIAG_CONST_NUMS #define DIAG_CONST_NUMS -#include "module_base/module_device/memory_op.h" +#include "source_base/module_device/memory_op.h" template struct const_nums diff --git a/source/source_hsolver/diag_hs_para.cpp b/source/source_hsolver/diag_hs_para.cpp index 8246fb2a3f..b68eeebf3c 100644 --- a/source/source_hsolver/diag_hs_para.cpp +++ b/source/source_hsolver/diag_hs_para.cpp @@ -1,7 +1,7 @@ #include "source_hsolver/diag_hs_para.h" -#include "module_base/scalapack_connector.h" -#include "module_base/parallel_2d.h" +#include "source_base/scalapack_connector.h" +#include "source_base/parallel_2d.h" #include "source_hsolver/diago_pxxxgvx.h" #ifdef __ELPA diff --git a/source/source_hsolver/diag_hs_para.h b/source/source_hsolver/diag_hs_para.h index 659f3b0781..ba7cae70a3 100644 --- a/source/source_hsolver/diag_hs_para.h +++ b/source/source_hsolver/diag_hs_para.h @@ -1,5 +1,5 @@ -#include "module_base/parallel_2d.h" -#include "module_base/macros.h" +#include "source_base/parallel_2d.h" +#include "source_base/macros.h" #ifdef __MPI #include diff --git a/source/source_hsolver/diago_bpcg.cpp b/source/source_hsolver/diago_bpcg.cpp index c04be1699b..4c06e19d2b 100644 --- a/source/source_hsolver/diago_bpcg.cpp +++ b/source/source_hsolver/diago_bpcg.cpp @@ -1,10 +1,10 @@ #include "source_hsolver/diago_bpcg.h" #include "diago_iter_assist.h" -#include "module_base/blas_connector.h" -#include "module_base/global_function.h" -#include "module_base/kernels/math_kernel_op.h" -#include "module_base/parallel_comm.h" // different MPI worlds +#include "source_base/blas_connector.h" +#include "source_base/global_function.h" +#include "source_base/kernels/math_kernel_op.h" +#include "source_base/parallel_comm.h" // different MPI worlds #include "source_hsolver/kernels/bpcg_kernel_op.h" #include "para_linear_transform.h" diff --git a/source/source_hsolver/diago_bpcg.h b/source/source_hsolver/diago_bpcg.h index 7c1553184d..cb0232c8c7 100644 --- a/source/source_hsolver/diago_bpcg.h +++ b/source/source_hsolver/diago_bpcg.h @@ -1,10 +1,10 @@ #ifndef DIAGO_BPCG_H_ #define DIAGO_BPCG_H_ -#include "module_base/kernels/math_kernel_op.h" -#include "module_base/module_device/memory_op.h" -#include "module_base/module_device/types.h" -#include "module_base/para_gemm.h" +#include "source_base/kernels/math_kernel_op.h" +#include "source_base/module_device/memory_op.h" +#include "source_base/module_device/types.h" +#include "source_base/para_gemm.h" #include "module_hamilt_general/hamilt.h" #include "module_hamilt_pw/hamilt_pwdft/structure_factor.h" #include "source_hsolver/kernels/dngvd_op.h" @@ -12,7 +12,7 @@ #include #include -#include +#include namespace hsolver { @@ -347,7 +347,7 @@ class DiagoBPCG using syncmem_complex_op = ct::kernels::synchronize_memory; // note: these operators use template parameter base_device::Device_* - // defined in module_base/module_device/types.h + // defined in source_base/module_device/types.h // different from ct_Device! using gemm_op = ModuleBase::gemm_op; diff --git a/source/source_hsolver/diago_cg.cpp b/source/source_hsolver/diago_cg.cpp index 7b4a1a9f79..0c8f5b81e7 100644 --- a/source/source_hsolver/diago_cg.cpp +++ b/source/source_hsolver/diago_cg.cpp @@ -4,12 +4,12 @@ #include #include #include -#include -#include -#include -#include -#include // ModuleBase::TITLE -#include // ModuleBase::GlobalFunc::NOTE +#include +#include +#include +#include +#include // ModuleBase::TITLE +#include // ModuleBase::GlobalFunc::NOTE #include using namespace hsolver; diff --git a/source/source_hsolver/diago_cg.h b/source/source_hsolver/diago_cg.h index 9d254ded18..09ef0b25ab 100644 --- a/source/source_hsolver/diago_cg.h +++ b/source/source_hsolver/diago_cg.h @@ -3,8 +3,8 @@ #include -#include -#include +#include +#include #include #include diff --git a/source/source_hsolver/diago_cusolver.cpp b/source/source_hsolver/diago_cusolver.cpp index efaf20a28a..0ab1f0e276 100644 --- a/source/source_hsolver/diago_cusolver.cpp +++ b/source/source_hsolver/diago_cusolver.cpp @@ -1,9 +1,9 @@ #include "diago_cusolver.h" -#include "module_base/blacs_connector.h" -#include "module_base/global_variable.h" -#include "module_base/scalapack_connector.h" -#include "module_base/timer.h" +#include "source_base/blacs_connector.h" +#include "source_base/global_variable.h" +#include "source_base/scalapack_connector.h" +#include "source_base/timer.h" #include "module_parameter/parameter.h" #include diff --git a/source/source_hsolver/diago_cusolver.h b/source/source_hsolver/diago_cusolver.h index 1921b32e70..d9b0179e97 100644 --- a/source/source_hsolver/diago_cusolver.h +++ b/source/source_hsolver/diago_cusolver.h @@ -1,7 +1,7 @@ #ifndef DIAGOCUSOLVER_H #define DIAGOCUSOLVER_H -#include "module_base/macros.h" // GetRealType +#include "source_base/macros.h" // GetRealType #include "module_hamilt_general/hamilt.h" #include "module_basis/module_ao/parallel_orbitals.h" #include "source_hsolver/kernels/cuda/diag_cusolver.cuh" diff --git a/source/source_hsolver/diago_cusolvermp.cpp b/source/source_hsolver/diago_cusolvermp.cpp index 09aa85940b..ea8112b78d 100644 --- a/source/source_hsolver/diago_cusolvermp.cpp +++ b/source/source_hsolver/diago_cusolvermp.cpp @@ -3,7 +3,7 @@ #include "module_parameter/parameter.h" #include "diago_cusolvermp.h" -#include "module_base/timer.h" +#include "source_base/timer.h" using complex = std::complex; diff --git a/source/source_hsolver/diago_cusolvermp.h b/source/source_hsolver/diago_cusolvermp.h index 02cc22568f..384f60f347 100644 --- a/source/source_hsolver/diago_cusolvermp.h +++ b/source/source_hsolver/diago_cusolvermp.h @@ -3,7 +3,7 @@ #ifdef __CUSOLVERMP #include "module_hamilt_general/hamilt.h" -#include "module_base/macros.h" +#include "source_base/macros.h" #include "module_basis/module_ao/parallel_orbitals.h" #include "source_hsolver/kernels/cuda/diag_cusolvermp.cuh" namespace hsolver diff --git a/source/source_hsolver/diago_dav_subspace.cpp b/source/source_hsolver/diago_dav_subspace.cpp index 4efe46b2ab..faa75a97d3 100644 --- a/source/source_hsolver/diago_dav_subspace.cpp +++ b/source/source_hsolver/diago_dav_subspace.cpp @@ -1,13 +1,13 @@ #include "diago_dav_subspace.h" #include "diago_iter_assist.h" -#include "module_base/memory.h" -#include "module_base/module_device/device.h" -#include "module_base/timer.h" +#include "source_base/memory.h" +#include "source_base/module_device/device.h" +#include "source_base/timer.h" #include "source_hsolver/kernels/dngvd_op.h" -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/kernels/math_kernel_op.h" #include "source_hsolver/kernels/bpcg_kernel_op.h" -#include "module_base/kernels/dsp/dsp_connector.h" +#include "source_base/kernels/dsp/dsp_connector.h" #include "source_hsolver/diag_hs_para.h" diff --git a/source/source_hsolver/diago_dav_subspace.h b/source/source_hsolver/diago_dav_subspace.h index a6dd87d799..bf3a9ca6f5 100644 --- a/source/source_hsolver/diago_dav_subspace.h +++ b/source/source_hsolver/diago_dav_subspace.h @@ -1,9 +1,9 @@ #ifndef DIAGO_NEW_DAV_H #define DIAGO_NEW_DAV_H -#include "module_base/macros.h" // GetRealType -#include "module_base/module_device/device.h" // base_device -#include "module_base/module_device/memory_op.h"// base_device::memory" +#include "source_base/macros.h" // GetRealType +#include "source_base/module_device/device.h" // base_device +#include "source_base/module_device/memory_op.h"// base_device::memory" #include "source_hsolver/diag_comm_info.h" #include "source_hsolver/diag_const_nums.h" diff --git a/source/source_hsolver/diago_david.cpp b/source/source_hsolver/diago_david.cpp index ec1599bee8..18cfc2526c 100644 --- a/source/source_hsolver/diago_david.cpp +++ b/source/source_hsolver/diago_david.cpp @@ -1,11 +1,11 @@ #include "diago_david.h" -#include "module_base/timer.h" // ModuleBase::timer::tick -#include "module_base/tool_title.h" // ModuleBase::TITLE -#include "module_base/module_device/device.h" +#include "source_base/timer.h" // ModuleBase::timer::tick +#include "source_base/tool_title.h" // ModuleBase::TITLE +#include "source_base/module_device/device.h" #include "source_hsolver/kernels/dngvd_op.h" -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/kernels/math_kernel_op.h" using namespace hsolver; diff --git a/source/source_hsolver/diago_david.h b/source/source_hsolver/diago_david.h index 8ea981d342..4c6146687c 100644 --- a/source/source_hsolver/diago_david.h +++ b/source/source_hsolver/diago_david.h @@ -1,9 +1,9 @@ #ifndef DIAGODAVID_H #define DIAGODAVID_H -#include "module_base/macros.h" // GetRealType -#include "module_base/module_device/device.h" // base_device -#include "module_base/module_device/memory_op.h"// base_device::memory +#include "source_base/macros.h" // GetRealType +#include "source_base/module_device/device.h" // base_device +#include "source_base/module_device/memory_op.h"// base_device::memory #include "source_hsolver/diag_comm_info.h" diff --git a/source/source_hsolver/diago_elpa.cpp b/source/source_hsolver/diago_elpa.cpp index 78ce0179d0..3004fdcb61 100644 --- a/source/source_hsolver/diago_elpa.cpp +++ b/source/source_hsolver/diago_elpa.cpp @@ -2,12 +2,12 @@ #include "module_parameter/parameter.h" #include "genelpa/elpa_solver.h" -#include "module_base/blacs_connector.h" -#include "module_base/global_variable.h" -#include "module_base/lapack_connector.h" -#include "module_base/scalapack_connector.h" -#include "module_base/timer.h" -#include "module_base/tool_quit.h" +#include "source_base/blacs_connector.h" +#include "source_base/global_variable.h" +#include "source_base/lapack_connector.h" +#include "source_base/scalapack_connector.h" +#include "source_base/timer.h" +#include "source_base/tool_quit.h" typedef hamilt::MatrixBlock matd; typedef hamilt::MatrixBlock> matcd; diff --git a/source/source_hsolver/diago_elpa.h b/source/source_hsolver/diago_elpa.h index 0ebe236ddb..5f5e2915c8 100644 --- a/source/source_hsolver/diago_elpa.h +++ b/source/source_hsolver/diago_elpa.h @@ -1,7 +1,7 @@ #ifndef DIAGOELPA_H #define DIAGOELPA_H -#include "module_base/macros.h" // GetRealType +#include "source_base/macros.h" // GetRealType #include "module_hamilt_general/hamilt.h" #include "module_basis/module_ao/parallel_orbitals.h" diff --git a/source/source_hsolver/diago_elpa_native.cpp b/source/source_hsolver/diago_elpa_native.cpp index ad7846d7ee..a60c6c71f0 100644 --- a/source/source_hsolver/diago_elpa_native.cpp +++ b/source/source_hsolver/diago_elpa_native.cpp @@ -1,12 +1,12 @@ #include "diago_elpa_native.h" -#include "module_base/blacs_connector.h" -#include "module_base/global_variable.h" +#include "source_base/blacs_connector.h" +#include "source_base/global_variable.h" #include "module_parameter/parameter.h" -#include "module_base/lapack_connector.h" -#include "module_base/scalapack_connector.h" -#include "module_base/timer.h" -#include "module_base/tool_quit.h" +#include "source_base/lapack_connector.h" +#include "source_base/scalapack_connector.h" +#include "source_base/timer.h" +#include "source_base/tool_quit.h" #include "source_hsolver/genelpa/elpa_new.h" #include "omp.h" diff --git a/source/source_hsolver/diago_elpa_native.h b/source/source_hsolver/diago_elpa_native.h index 63415b79a7..5073f3657e 100644 --- a/source/source_hsolver/diago_elpa_native.h +++ b/source/source_hsolver/diago_elpa_native.h @@ -1,7 +1,7 @@ #ifndef DIAGOELPANATIVE_H #define DIAGOELPANATIVE_H -#include "module_base/macros.h" // GetRealType +#include "source_base/macros.h" // GetRealType #include "module_hamilt_general/hamilt.h" #include "module_basis/module_ao/parallel_orbitals.h" diff --git a/source/source_hsolver/diago_iter_assist.cpp b/source/source_hsolver/diago_iter_assist.cpp index d2bfb71e78..704249c85e 100644 --- a/source/source_hsolver/diago_iter_assist.cpp +++ b/source/source_hsolver/diago_iter_assist.cpp @@ -1,15 +1,15 @@ #include "diago_iter_assist.h" #include "module_parameter/parameter.h" -#include "module_base/blas_connector.h" -#include "module_base/complexmatrix.h" -#include "module_base/constants.h" -#include "module_base/global_variable.h" -#include "module_base/lapack_connector.h" -#include "module_base/module_device/device.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" +#include "source_base/blas_connector.h" +#include "source_base/complexmatrix.h" +#include "source_base/constants.h" +#include "source_base/global_variable.h" +#include "source_base/lapack_connector.h" +#include "source_base/module_device/device.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" #include "source_hsolver/kernels/dngvd_op.h" -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/kernels/math_kernel_op.h" namespace hsolver { diff --git a/source/source_hsolver/diago_iter_assist.h b/source/source_hsolver/diago_iter_assist.h index c5c4e9cfaa..97520dcfe5 100644 --- a/source/source_hsolver/diago_iter_assist.h +++ b/source/source_hsolver/diago_iter_assist.h @@ -1,8 +1,8 @@ #ifndef DIAGOITERASSIST_H #define DIAGOITERASSIST_H -#include "module_base/complexmatrix.h" -#include "module_base/macros.h" +#include "source_base/complexmatrix.h" +#include "source_base/macros.h" #include "module_hamilt_general/hamilt.h" #include "module_psi/psi.h" diff --git a/source/source_hsolver/diago_lapack.cpp b/source/source_hsolver/diago_lapack.cpp index 6a4efcb556..a1c2edd7b1 100644 --- a/source/source_hsolver/diago_lapack.cpp +++ b/source/source_hsolver/diago_lapack.cpp @@ -4,10 +4,10 @@ #include "diago_lapack.h" -#include "module_base/global_variable.h" -#include "module_base/lapack_connector.h" -#include "module_base/timer.h" -#include "module_base/tool_quit.h" +#include "source_base/global_variable.h" +#include "source_base/lapack_connector.h" +#include "source_base/timer.h" +#include "source_base/tool_quit.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" typedef hamilt::MatrixBlock matd; diff --git a/source/source_hsolver/diago_lapack.h b/source/source_hsolver/diago_lapack.h index f787b9054f..d7c060838d 100644 --- a/source/source_hsolver/diago_lapack.h +++ b/source/source_hsolver/diago_lapack.h @@ -8,9 +8,9 @@ #ifndef DIAGOLAPACK_H #define DIAGOLAPACK_H -#include "module_base/macros.h" // GetRealType +#include "source_base/macros.h" // GetRealType #include "module_hamilt_general/hamilt.h" -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "module_basis/module_ao/parallel_orbitals.h" #include diff --git a/source/source_hsolver/diago_pexsi.cpp b/source/source_hsolver/diago_pexsi.cpp index 85df14c9af..5db73962d9 100644 --- a/source/source_hsolver/diago_pexsi.cpp +++ b/source/source_hsolver/diago_pexsi.cpp @@ -4,8 +4,8 @@ #include #ifdef __PEXSI #include "diago_pexsi.h" -#include "module_base/global_variable.h" -#include "module_base/tool_quit.h" +#include "source_base/global_variable.h" +#include "source_base/tool_quit.h" #include "module_basis/module_ao/parallel_orbitals.h" #include "module_pexsi/pexsi_solver.h" diff --git a/source/source_hsolver/diago_pexsi.h b/source/source_hsolver/diago_pexsi.h index e593e3b669..be44df5037 100644 --- a/source/source_hsolver/diago_pexsi.h +++ b/source/source_hsolver/diago_pexsi.h @@ -3,9 +3,9 @@ #include #include -#include "module_base/macros.h" // GetRealType +#include "source_base/macros.h" // GetRealType #include "module_hamilt_general/hamilt.h" -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" #include "module_basis/module_ao/parallel_orbitals.h" #include "module_pexsi/pexsi_solver.h" diff --git a/source/source_hsolver/diago_pxxxgvx.cpp b/source/source_hsolver/diago_pxxxgvx.cpp index 51e29f27ff..97f336ec81 100644 --- a/source/source_hsolver/diago_pxxxgvx.cpp +++ b/source/source_hsolver/diago_pxxxgvx.cpp @@ -1,7 +1,7 @@ #include "diago_pxxxgvx.h" -#include "module_base/blacs_connector.h" -#include "module_base/scalapack_connector.h" +#include "source_base/blacs_connector.h" +#include "source_base/scalapack_connector.h" #include #include diff --git a/source/source_hsolver/diago_pxxxgvx.h b/source/source_hsolver/diago_pxxxgvx.h index e4f9ba7896..4b1e8486a0 100644 --- a/source/source_hsolver/diago_pxxxgvx.h +++ b/source/source_hsolver/diago_pxxxgvx.h @@ -1,7 +1,7 @@ #ifndef HSOLVER_DIAGO_PXXXGVX_H #define HSOLVER_DIAGO_PXXXGVX_H #include -#include "module_base/macros.h" +#include "source_base/macros.h" namespace hsolver { diff --git a/source/source_hsolver/diago_scalapack.cpp b/source/source_hsolver/diago_scalapack.cpp index 92388fd461..3ebe5416fd 100644 --- a/source/source_hsolver/diago_scalapack.cpp +++ b/source/source_hsolver/diago_scalapack.cpp @@ -11,9 +11,9 @@ #include #include -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/scalapack_connector.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/scalapack_connector.h" #include "module_hamilt_general/matrixblock.h" typedef hamilt::MatrixBlock matd; diff --git a/source/source_hsolver/diago_scalapack.h b/source/source_hsolver/diago_scalapack.h index 1ac2e31ab4..ea9d8f6567 100644 --- a/source/source_hsolver/diago_scalapack.h +++ b/source/source_hsolver/diago_scalapack.h @@ -12,11 +12,11 @@ #include #include -#include "module_base/macros.h" // GetRealType +#include "source_base/macros.h" // GetRealType #include "module_hamilt_general/hamilt.h" #include "module_psi/psi.h" -#include "module_base/complexmatrix.h" -#include "module_base/matrix.h" +#include "source_base/complexmatrix.h" +#include "source_base/matrix.h" #include "module_basis/module_ao/parallel_orbitals.h" namespace hsolver diff --git a/source/source_hsolver/genelpa/elpa_new_complex.cpp b/source/source_hsolver/genelpa/elpa_new_complex.cpp index 044cfbe6fd..63c7578592 100644 --- a/source/source_hsolver/genelpa/elpa_new_complex.cpp +++ b/source/source_hsolver/genelpa/elpa_new_complex.cpp @@ -9,10 +9,10 @@ #include "elpa_new.h" #include "elpa_solver.h" -#include "module_base/scalapack_connector.h" +#include "source_base/scalapack_connector.h" #include "utils.h" -#include "module_base/tool_quit.h" +#include "source_base/tool_quit.h" extern std::map NEW_ELPA_HANDLE_POOL; diff --git a/source/source_hsolver/genelpa/elpa_new_real.cpp b/source/source_hsolver/genelpa/elpa_new_real.cpp index 3a82897a51..beeb7ae540 100644 --- a/source/source_hsolver/genelpa/elpa_new_real.cpp +++ b/source/source_hsolver/genelpa/elpa_new_real.cpp @@ -1,10 +1,10 @@ #include "elpa_new.h" #include "elpa_solver.h" -#include "module_base/scalapack_connector.h" +#include "source_base/scalapack_connector.h" #include "utils.h" -#include "module_base/tool_quit.h" +#include "source_base/tool_quit.h" #include #include diff --git a/source/source_hsolver/genelpa/utils.cpp b/source/source_hsolver/genelpa/utils.cpp index 370ce0cf05..e42eab2d5a 100644 --- a/source/source_hsolver/genelpa/utils.cpp +++ b/source/source_hsolver/genelpa/utils.cpp @@ -1,7 +1,7 @@ #include "utils.h" -#include "module_base/blacs_connector.h" -#include "module_base/scalapack_connector.h" +#include "source_base/blacs_connector.h" +#include "source_base/scalapack_connector.h" #include #include diff --git a/source/source_hsolver/hsolver_lcao.cpp b/source/source_hsolver/hsolver_lcao.cpp index 9aafbbcab0..fbdd2cf6e8 100644 --- a/source/source_hsolver/hsolver_lcao.cpp +++ b/source/source_hsolver/hsolver_lcao.cpp @@ -2,7 +2,7 @@ #ifdef __MPI #include "diago_scalapack.h" -#include "module_base/scalapack_connector.h" +#include "source_base/scalapack_connector.h" #else #include "diago_lapack.h" #endif @@ -24,10 +24,10 @@ #include "diago_pexsi.h" #endif -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" #include "module_elecstate/elecstate_tools.h" -#include "module_base/memory.h" -#include "module_base/timer.h" +#include "source_base/memory.h" +#include "source_base/timer.h" #include "module_elecstate/elecstate_lcao.h" #include "module_elecstate/module_dm/cal_dm_psi.h" #include "module_elecstate/module_dm/density_matrix.h" diff --git a/source/source_hsolver/hsolver_lcaopw.cpp b/source/source_hsolver/hsolver_lcaopw.cpp index a279d4c8cc..e69a39cc33 100644 --- a/source/source_hsolver/hsolver_lcaopw.cpp +++ b/source/source_hsolver/hsolver_lcaopw.cpp @@ -1,9 +1,9 @@ #include "hsolver_lcaopw.h" -#include "module_base/global_variable.h" -#include "module_base/parallel_global.h" // for MPI -#include "module_base/timer.h" -#include "module_base/tool_quit.h" +#include "source_base/global_variable.h" +#include "source_base/parallel_global.h" // for MPI +#include "source_base/timer.h" +#include "source_base/tool_quit.h" #include "module_elecstate/elecstate_pw.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_hamilt_pw/hamilt_pwdft/hamilt_pw.h" diff --git a/source/source_hsolver/hsolver_lcaopw.h b/source/source_hsolver/hsolver_lcaopw.h index 4b29901ad9..e2017fe95c 100644 --- a/source/source_hsolver/hsolver_lcaopw.h +++ b/source/source_hsolver/hsolver_lcaopw.h @@ -3,8 +3,8 @@ #include "module_elecstate/elecstate.h" #include "module_hamilt_general/hamilt.h" -#include "module_base/macros.h" -#include "module_base/module_device/types.h" +#include "source_base/macros.h" +#include "source_base/module_device/types.h" namespace hsolver { diff --git a/source/source_hsolver/hsolver_pw.cpp b/source/source_hsolver/hsolver_pw.cpp index d6caafeab3..b45fb2f850 100644 --- a/source/source_hsolver/hsolver_pw.cpp +++ b/source/source_hsolver/hsolver_pw.cpp @@ -1,8 +1,8 @@ #include "hsolver_pw.h" -#include "module_base/global_variable.h" -#include "module_base/timer.h" -#include "module_base/tool_quit.h" +#include "source_base/global_variable.h" +#include "source_base/timer.h" +#include "source_base/tool_quit.h" #include "module_elecstate/elecstate_pw.h" #include "module_hamilt_general/hamilt.h" #include "source_hsolver/diag_comm_info.h" diff --git a/source/source_hsolver/hsolver_pw.h b/source/source_hsolver/hsolver_pw.h index 3a52293fb2..b1f251c37e 100644 --- a/source/source_hsolver/hsolver_pw.h +++ b/source/source_hsolver/hsolver_pw.h @@ -3,10 +3,10 @@ #include "module_elecstate/elecstate.h" #include "module_hamilt_general/hamilt.h" -#include "module_base/macros.h" +#include "source_base/macros.h" #include "module_basis/module_pw/pw_basis_k.h" #include -#include "module_base/memory.h" +#include "source_base/memory.h" namespace hsolver { diff --git a/source/source_hsolver/hsolver_pw_sdft.cpp b/source/source_hsolver/hsolver_pw_sdft.cpp index 3408284777..a41cdf43ce 100644 --- a/source/source_hsolver/hsolver_pw_sdft.cpp +++ b/source/source_hsolver/hsolver_pw_sdft.cpp @@ -1,9 +1,9 @@ #include "hsolver_pw_sdft.h" -#include "module_base/global_function.h" -#include "module_base/parallel_device.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/global_function.h" +#include "source_base/parallel_device.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include "module_elecstate/module_charge/symmetry_rho.h" #include "module_elecstate/elecstate_tools.h" diff --git a/source/source_hsolver/kernels/bpcg_kernel_op.cpp b/source/source_hsolver/kernels/bpcg_kernel_op.cpp index afd4be384c..0fc0e1b8f9 100644 --- a/source/source_hsolver/kernels/bpcg_kernel_op.cpp +++ b/source/source_hsolver/kernels/bpcg_kernel_op.cpp @@ -1,7 +1,7 @@ #include "source_hsolver/kernels/bpcg_kernel_op.h" -#include "module_base/blas_connector.h" -#include "module_base/kernels/math_kernel_op.h" -#include "module_base/parallel_reduce.h" +#include "source_base/blas_connector.h" +#include "source_base/kernels/math_kernel_op.h" +#include "source_base/parallel_reduce.h" #include namespace hsolver { diff --git a/source/source_hsolver/kernels/bpcg_kernel_op.h b/source/source_hsolver/kernels/bpcg_kernel_op.h index 31afb74caa..802ee3c1e4 100644 --- a/source/source_hsolver/kernels/bpcg_kernel_op.h +++ b/source/source_hsolver/kernels/bpcg_kernel_op.h @@ -1,7 +1,7 @@ #ifndef MODULE_HSOLVER_BPCG_KERNEL_H #define MODULE_HSOLVER_BPCG_KERNEL_H -#include "module_base/macros.h" -#include "module_base/module_device/types.h" +#include "source_base/macros.h" +#include "source_base/module_device/types.h" namespace hsolver { diff --git a/source/source_hsolver/kernels/cuda/bpcg_kernel_op.cu b/source/source_hsolver/kernels/cuda/bpcg_kernel_op.cu index 5636326093..e8af516274 100644 --- a/source/source_hsolver/kernels/cuda/bpcg_kernel_op.cu +++ b/source/source_hsolver/kernels/cuda/bpcg_kernel_op.cu @@ -1,4 +1,4 @@ -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/kernels/math_kernel_op.h" #include "source_hsolver/kernels/bpcg_kernel_op.h" #include diff --git a/source/source_hsolver/kernels/cuda/diag_cusolvermp.cu b/source/source_hsolver/kernels/cuda/diag_cusolvermp.cu index 63f54147d7..15a0eca612 100644 --- a/source/source_hsolver/kernels/cuda/diag_cusolvermp.cu +++ b/source/source_hsolver/kernels/cuda/diag_cusolvermp.cu @@ -1,7 +1,7 @@ #ifdef __CUSOLVERMP #include "diag_cusolvermp.cuh" #include "helper_cuda.h" -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" #include @@ -12,8 +12,8 @@ extern "C" #include #include #include "helper_cusolver.h" -#include "module_base/global_function.h" -#include "module_base/module_device/device.h" +#include "source_base/global_function.h" +#include "source_base/module_device/device.h" static calError_t allgather(void* src_buf, void* recv_buf, size_t size, void* data, void** request) { MPI_Request req; diff --git a/source/source_hsolver/kernels/cuda/diag_cusolvermp.cuh b/source/source_hsolver/kernels/cuda/diag_cusolvermp.cuh index dd4b3e13a6..0e330908dc 100644 --- a/source/source_hsolver/kernels/cuda/diag_cusolvermp.cuh +++ b/source/source_hsolver/kernels/cuda/diag_cusolvermp.cuh @@ -6,7 +6,7 @@ #include #include #include -#include "module_base/macros.h" +#include "source_base/macros.h" template class Diag_CusolverMP_gvd diff --git a/source/source_hsolver/kernels/dngvd_op.h b/source/source_hsolver/kernels/dngvd_op.h index d2dd442412..45468dc172 100644 --- a/source/source_hsolver/kernels/dngvd_op.h +++ b/source/source_hsolver/kernels/dngvd_op.h @@ -3,10 +3,10 @@ #ifndef MODULE_HSOLVER_DNGVD_H #define MODULE_HSOLVER_DNGVD_H -#include "module_base/macros.h" -#include "module_base/lapack_wrapper.h" -#include "module_base/parallel_reduce.h" -#include "module_base/module_device/types.h" +#include "source_base/macros.h" +#include "source_base/lapack_wrapper.h" +#include "source_base/parallel_reduce.h" +#include "source_base/module_device/types.h" namespace hsolver { diff --git a/source/source_hsolver/kernels/rocm/bpcg_kernel_op.hip.cu b/source/source_hsolver/kernels/rocm/bpcg_kernel_op.hip.cu index 70f6494d2d..095cd4deff 100644 --- a/source/source_hsolver/kernels/rocm/bpcg_kernel_op.hip.cu +++ b/source/source_hsolver/kernels/rocm/bpcg_kernel_op.hip.cu @@ -1,4 +1,4 @@ -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/kernels/math_kernel_op.h" #include "source_hsolver/kernels/bpcg_kernel_op.h" #include diff --git a/source/source_hsolver/kernels/test/math_dngvd_test.cpp b/source/source_hsolver/kernels/test/math_dngvd_test.cpp index 6cba4caf53..554f5c05a3 100644 --- a/source/source_hsolver/kernels/test/math_dngvd_test.cpp +++ b/source/source_hsolver/kernels/test/math_dngvd_test.cpp @@ -1,8 +1,8 @@ -#include "module_base/complexmatrix.h" -#include "module_base/lapack_connector.h" -#include "module_base/module_device/memory_op.h" +#include "source_base/complexmatrix.h" +#include "source_base/lapack_connector.h" +#include "source_base/module_device/memory_op.h" #include "source_hsolver/kernels/dngvd_op.h" -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/kernels/math_kernel_op.h" #include #include diff --git a/source/source_hsolver/kernels/test/perf_math_kernel.cpp b/source/source_hsolver/kernels/test/perf_math_kernel.cpp index f88de52272..37b55b8022 100644 --- a/source/source_hsolver/kernels/test/perf_math_kernel.cpp +++ b/source/source_hsolver/kernels/test/perf_math_kernel.cpp @@ -1,7 +1,7 @@ -#include "module_base/blas_connector.h" -#include "module_base/constants.h" -#include "module_base/module_device/memory_op.h" -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/blas_connector.h" +#include "source_base/constants.h" +#include "source_base/module_device/memory_op.h" +#include "source_base/kernels/math_kernel_op.h" #include #include diff --git a/source/source_hsolver/module_pexsi/pexsi_solver.cpp b/source/source_hsolver/module_pexsi/pexsi_solver.cpp index e830eb2eaf..68d4b36c8c 100644 --- a/source/source_hsolver/module_pexsi/pexsi_solver.cpp +++ b/source/source_hsolver/module_pexsi/pexsi_solver.cpp @@ -1,4 +1,4 @@ -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #ifdef __PEXSI #include "module_parameter/parameter.h" #include "pexsi_solver.h" @@ -7,7 +7,7 @@ #include #include -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" #include "simple_pexsi.h" extern MPI_Comm DIAG_WORLD; diff --git a/source/source_hsolver/module_pexsi/simple_pexsi.cpp b/source/source_hsolver/module_pexsi/simple_pexsi.cpp index 55f5a7b823..9f3146ebce 100644 --- a/source/source_hsolver/module_pexsi/simple_pexsi.cpp +++ b/source/source_hsolver/module_pexsi/simple_pexsi.cpp @@ -17,10 +17,10 @@ #include "dist_bcd_matrix.h" #include "dist_ccs_matrix.h" #include "dist_matrix_transformer.h" -#include "module_base/lapack_connector.h" -#include "module_base/timer.h" -#include "module_base/tool_quit.h" -#include "module_base/global_variable.h" +#include "source_base/lapack_connector.h" +#include "source_base/timer.h" +#include "source_base/tool_quit.h" +#include "source_base/global_variable.h" #include "source_hsolver/diago_pexsi.h" namespace pexsi diff --git a/source/source_hsolver/para_linear_transform.cpp b/source/source_hsolver/para_linear_transform.cpp index 5a6c8def27..ad5a09025c 100644 --- a/source/source_hsolver/para_linear_transform.cpp +++ b/source/source_hsolver/para_linear_transform.cpp @@ -1,6 +1,6 @@ #include "para_linear_transform.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include #include diff --git a/source/source_hsolver/para_linear_transform.h b/source/source_hsolver/para_linear_transform.h index 8e5e69d203..5651695e0b 100644 --- a/source/source_hsolver/para_linear_transform.h +++ b/source/source_hsolver/para_linear_transform.h @@ -1,9 +1,9 @@ #ifndef __PARA_LINEAR_TRANSFORM_H__ #define __PARA_LINEAR_TRANSFORM_H__ -#include "module_base/kernels/math_kernel_op.h" -#include "module_base/module_device/device.h" -#include "module_base/module_device/memory_op.h" -#include "module_base/parallel_device.h" +#include "source_base/kernels/math_kernel_op.h" +#include "source_base/module_device/device.h" +#include "source_base/module_device/memory_op.h" +#include "source_base/parallel_device.h" #include #ifdef __MPI diff --git a/source/source_hsolver/parallel_k2d.cpp b/source/source_hsolver/parallel_k2d.cpp index 91ead02082..2f5ce5bd11 100644 --- a/source/source_hsolver/parallel_k2d.cpp +++ b/source/source_hsolver/parallel_k2d.cpp @@ -1,9 +1,9 @@ #include "parallel_k2d.h" -#include "module_base/parallel_global.h" -#include "module_base/scalapack_connector.h" -#include "module_base/timer.h" -#include "module_base/memory.h" +#include "source_base/parallel_global.h" +#include "source_base/scalapack_connector.h" +#include "source_base/timer.h" +#include "source_base/memory.h" template void Parallel_K2D::set_para_env(int nks, diff --git a/source/source_hsolver/parallel_k2d.h b/source/source_hsolver/parallel_k2d.h index cdd7a951c8..ef799a103a 100644 --- a/source/source_hsolver/parallel_k2d.h +++ b/source/source_hsolver/parallel_k2d.h @@ -1,7 +1,7 @@ #ifndef PARALLEL_K2D_H #define PARALLEL_K2D_H -#include "module_base/parallel_2d.h" +#include "source_base/parallel_2d.h" #include "module_cell/parallel_kpoints.h" #include "module_hamilt_general/matrixblock.h" #ifdef __MPI diff --git a/source/source_hsolver/test/diago_bpcg_test.cpp b/source/source_hsolver/test/diago_bpcg_test.cpp index 70ae44942e..89e9e43856 100644 --- a/source/source_hsolver/test/diago_bpcg_test.cpp +++ b/source/source_hsolver/test/diago_bpcg_test.cpp @@ -1,5 +1,5 @@ -#include "module_base/inverse_matrix.h" -#include "module_base/lapack_connector.h" +#include "source_base/inverse_matrix.h" +#include "source_base/lapack_connector.h" #include "module_hamilt_pw/hamilt_pwdft/structure_factor.h" #include "module_psi/psi.h" #include "module_hamilt_general/hamilt.h" diff --git a/source/source_hsolver/test/diago_cg_float_test.cpp b/source/source_hsolver/test/diago_cg_float_test.cpp index fe7cfb699a..03081bc916 100644 --- a/source/source_hsolver/test/diago_cg_float_test.cpp +++ b/source/source_hsolver/test/diago_cg_float_test.cpp @@ -2,8 +2,8 @@ #define private public #include "module_parameter/parameter.h" #undef private -#include "module_base/inverse_matrix.h" -#include "module_base/lapack_connector.h" +#include "source_base/inverse_matrix.h" +#include "source_base/lapack_connector.h" #include "module_hamilt_pw/hamilt_pwdft/structure_factor.h" #include "module_psi/psi.h" #include "module_hamilt_general/hamilt.h" diff --git a/source/source_hsolver/test/diago_cg_real_test.cpp b/source/source_hsolver/test/diago_cg_real_test.cpp index 0fda01e350..be5c8e5fc7 100644 --- a/source/source_hsolver/test/diago_cg_real_test.cpp +++ b/source/source_hsolver/test/diago_cg_real_test.cpp @@ -2,8 +2,8 @@ #define private public #include "module_parameter/parameter.h" #undef private -#include "module_base/inverse_matrix.h" -#include "module_base/lapack_connector.h" +#include "source_base/inverse_matrix.h" +#include "source_base/lapack_connector.h" #include "module_hamilt_pw/hamilt_pwdft/structure_factor.h" #include "module_psi/psi.h" #include "module_hamilt_general/hamilt.h" diff --git a/source/source_hsolver/test/diago_cg_test.cpp b/source/source_hsolver/test/diago_cg_test.cpp index 0365766638..293c2eac2d 100644 --- a/source/source_hsolver/test/diago_cg_test.cpp +++ b/source/source_hsolver/test/diago_cg_test.cpp @@ -2,8 +2,8 @@ #define private public #include "module_parameter/parameter.h" #undef private -#include "module_base/inverse_matrix.h" -#include "module_base/lapack_connector.h" +#include "source_base/inverse_matrix.h" +#include "source_base/lapack_connector.h" #include "module_hamilt_pw/hamilt_pwdft/structure_factor.h" #include "module_psi/psi.h" #include "module_hamilt_general/hamilt.h" diff --git a/source/source_hsolver/test/diago_david_float_test.cpp b/source/source_hsolver/test/diago_david_float_test.cpp index 7f4bfd1f88..d8aafa5b70 100644 --- a/source/source_hsolver/test/diago_david_float_test.cpp +++ b/source/source_hsolver/test/diago_david_float_test.cpp @@ -4,8 +4,8 @@ #include"diago_mock.h" #include "module_psi/psi.h" #include"gtest/gtest.h" -#include "module_base/inverse_matrix.h" -#include "module_base/lapack_connector.h" +#include "source_base/inverse_matrix.h" +#include "source_base/lapack_connector.h" #include "module_basis/module_pw/test/test_tool.h" #include"mpi.h" diff --git a/source/source_hsolver/test/diago_david_real_test.cpp b/source/source_hsolver/test/diago_david_real_test.cpp index b9109faa78..c21b012a64 100644 --- a/source/source_hsolver/test/diago_david_real_test.cpp +++ b/source/source_hsolver/test/diago_david_real_test.cpp @@ -4,8 +4,8 @@ #include"diago_mock.h" #include "module_psi/psi.h" #include"gtest/gtest.h" -#include "module_base/inverse_matrix.h" -#include "module_base/lapack_connector.h" +#include "source_base/inverse_matrix.h" +#include "source_base/lapack_connector.h" #include "module_basis/module_pw/test/test_tool.h" #include"mpi.h" diff --git a/source/source_hsolver/test/diago_david_test.cpp b/source/source_hsolver/test/diago_david_test.cpp index 72f4c8ddb3..63f6e901d5 100644 --- a/source/source_hsolver/test/diago_david_test.cpp +++ b/source/source_hsolver/test/diago_david_test.cpp @@ -4,8 +4,8 @@ #include"diago_mock.h" #include "module_psi/psi.h" #include"gtest/gtest.h" -#include "module_base/inverse_matrix.h" -#include "module_base/lapack_connector.h" +#include "source_base/inverse_matrix.h" +#include "source_base/lapack_connector.h" #include "module_basis/module_pw/test/test_tool.h" #include"mpi.h" diff --git a/source/source_hsolver/test/diago_elpa_utils.h b/source/source_hsolver/test/diago_elpa_utils.h index 91160a253f..01ca271cde 100644 --- a/source/source_hsolver/test/diago_elpa_utils.h +++ b/source/source_hsolver/test/diago_elpa_utils.h @@ -1,6 +1,6 @@ -#include "module_base/blacs_connector.h" -#include "module_base/lapack_connector.h" -#include "module_base/scalapack_connector.h" +#include "source_base/blacs_connector.h" +#include "source_base/lapack_connector.h" +#include "source_base/scalapack_connector.h" #include "mpi.h" #include diff --git a/source/source_hsolver/test/diago_lapack_test.cpp b/source/source_hsolver/test/diago_lapack_test.cpp index 01acc2ebbd..84e667cd37 100644 --- a/source/source_hsolver/test/diago_lapack_test.cpp +++ b/source/source_hsolver/test/diago_lapack_test.cpp @@ -11,7 +11,7 @@ #include #include "source_hsolver/diago_lapack.h" -#include "module_base/lapack_connector.h" +#include "source_base/lapack_connector.h" #define PASSTHRESHOLD 1e-5 #define DETAILINFO false diff --git a/source/source_hsolver/test/diago_mock.h b/source/source_hsolver/test/diago_mock.h index 85a7750fc5..d9f195da2b 100644 --- a/source/source_hsolver/test/diago_mock.h +++ b/source/source_hsolver/test/diago_mock.h @@ -1,8 +1,8 @@ #include -#include "../../module_base/lapack_connector.h" -#include "../../module_base/blas_connector.h" +#include "../../source_base/lapack_connector.h" +#include "../../source_base/blas_connector.h" #include "mpi.h" -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_reduce.h" #include "module_hamilt_pw/hamilt_pwdft/hamilt_pw.h" namespace DIAGOTEST @@ -169,7 +169,7 @@ namespace DIAGOTEST #endif } -#include "module_base/macros.h" +#include "source_base/macros.h" template class HPsi { diff --git a/source/source_hsolver/test/diago_pexsi_test.cpp b/source/source_hsolver/test/diago_pexsi_test.cpp index 3918fd43ff..b59687ecf0 100644 --- a/source/source_hsolver/test/diago_pexsi_test.cpp +++ b/source/source_hsolver/test/diago_pexsi_test.cpp @@ -4,8 +4,8 @@ #include "module_parameter/parameter.h" #undef private -#include "module_base/global_variable.h" -#include "module_base/parallel_global.h" +#include "source_base/global_variable.h" +#include "source_base/parallel_global.h" #include "module_basis/module_ao/parallel_orbitals.h" #include "source_hsolver/module_pexsi/pexsi_solver.h" #include "source_hsolver/test/diago_elpa_utils.h" diff --git a/source/source_hsolver/test/parallel_k2d_test.cpp b/source/source_hsolver/test/parallel_k2d_test.cpp index b025f9184f..8abceac5d6 100644 --- a/source/source_hsolver/test/parallel_k2d_test.cpp +++ b/source/source_hsolver/test/parallel_k2d_test.cpp @@ -1,7 +1,7 @@ #ifdef __MPI #include "source_hsolver/parallel_k2d.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "gmock/gmock.h" #include "gtest/gtest.h" diff --git a/source/source_hsolver/test/test_hsolver.cpp b/source/source_hsolver/test/test_hsolver.cpp index e20cb36358..6e9ab26009 100644 --- a/source/source_hsolver/test/test_hsolver.cpp +++ b/source/source_hsolver/test/test_hsolver.cpp @@ -6,7 +6,7 @@ #include "hsolver_supplementary_mock.h" #include "source_hsolver/hsolver.h" -#include +#include // template class hsolver::HSolver, base_device::DEVICE_CPU>; // template class hsolver::HSolver, base_device::DEVICE_CPU>; diff --git a/source/source_hsolver/test/test_hsolver_pw.cpp b/source/source_hsolver/test/test_hsolver_pw.cpp index 6f4dbbd07c..9200555133 100644 --- a/source/source_hsolver/test/test_hsolver_pw.cpp +++ b/source/source_hsolver/test/test_hsolver_pw.cpp @@ -10,7 +10,7 @@ #include "hsolver_supplementary_mock.h" #include "hsolver_pw_sup.h" #include "hsolver_supplementary_mock.h" -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" #include "source_hsolver/hsolver_pw.h" #undef private #undef protected diff --git a/source/source_hsolver/test/test_hsolver_sdft.cpp b/source/source_hsolver/test/test_hsolver_sdft.cpp index 777e85a50f..164bfed37e 100644 --- a/source/source_hsolver/test/test_hsolver_sdft.cpp +++ b/source/source_hsolver/test/test_hsolver_sdft.cpp @@ -9,7 +9,7 @@ #define protected public #include "hsolver_pw_sup.h" #include "hsolver_supplementary_mock.h" -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" #include "source_hsolver/hsolver_pw.h" #include "source_hsolver/hsolver_pw_sdft.h" #include "module_elecstate/elecstate_pw.h" @@ -389,7 +389,7 @@ class TestHSolverPW_SDFT : public ::testing::Test // } #ifdef __MPI -#include "module_base/timer.h" +#include "source_base/timer.h" #include "mpi.h" int main(int argc, char** argv) { diff --git a/source/source_main/driver.cpp b/source/source_main/driver.cpp index 37f99d482a..d4970acc96 100644 --- a/source/source_main/driver.cpp +++ b/source/source_main/driver.cpp @@ -1,8 +1,8 @@ #include "source_main/driver.h" -#include "module_base/global_file.h" -#include "module_base/memory.h" -#include "module_base/timer.h" +#include "source_base/global_file.h" +#include "source_base/memory.h" +#include "source_base/timer.h" #include "source_esolver/esolver.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_io/cal_test.h" diff --git a/source/source_main/main.cpp b/source/source_main/main.cpp index 4949b922ef..fb129029e2 100644 --- a/source/source_main/main.cpp +++ b/source/source_main/main.cpp @@ -5,7 +5,7 @@ #include "source_main/driver.h" #include "fftw3.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "module_io/parse_args.h" #include "module_parameter/parameter.h" #ifdef _OPENMP