diff --git a/docs/CONTRIBUTING.md b/docs/CONTRIBUTING.md index 21552a8bb2..916b0516bd 100644 --- a/docs/CONTRIBUTING.md +++ b/docs/CONTRIBUTING.md @@ -77,7 +77,7 @@ For those who are interested in the source code, the following figure shows the | |-- hamilt_pwdft The module for defining the Hamiltonian in PW-DFT calculations. | | |-- operator_pw The module for defining the operators in PW-DFT calculations. | `-- hamilt_stodft The module for defining the Hamiltonian in STODFT calculations. -|-- module_hsolver The module for solving the Hamiltonian with different diagonalization methods, including CG, Davidson in PW +|-- source_hsolver The module for solving the Hamiltonian with different diagonalization methods, including CG, Davidson in PW | | calculations, and scalapack and genelpa in LCAO calculations. |-- module_io The module for reading of INPUT files and output properties including band structure, density of states, charge density, etc. |-- module_md The module for performing molecular dynamics. diff --git a/docs/advanced/acceleration/cuda.md b/docs/advanced/acceleration/cuda.md index 7293614746..5a468e7fb4 100644 --- a/docs/advanced/acceleration/cuda.md +++ b/docs/advanced/acceleration/cuda.md @@ -12,7 +12,7 @@ In ABACUS, we provide the option to use GPU devices to accelerate performance. T - **Parallel strategy**: K point parallel. -Unlike PW basis, only the grid integration module (module_gint) and the diagonalization of the Hamiltonian matrix (module_hsolver) have been implemented with GPU acceleration under LCAO basis. +Unlike PW basis, only the grid integration module (module_gint) and the diagonalization of the Hamiltonian matrix (source_hsolver) have been implemented with GPU acceleration under LCAO basis. ## Required hardware/software diff --git a/python/pyabacus/CMakeLists.txt b/python/pyabacus/CMakeLists.txt index 61547f851a..0de042e2db 100644 --- a/python/pyabacus/CMakeLists.txt +++ b/python/pyabacus/CMakeLists.txt @@ -14,7 +14,7 @@ find_package(pybind11 CONFIG REQUIRED) set(ABACUS_SOURCE_DIR "${PROJECT_SOURCE_DIR}/../../source") set(BASE_PATH "${ABACUS_SOURCE_DIR}/module_base") set(NAO_PATH "${ABACUS_SOURCE_DIR}/module_basis/module_nao") -set(HSOLVER_PATH "${ABACUS_SOURCE_DIR}/module_hsolver") +set(HSOLVER_PATH "${ABACUS_SOURCE_DIR}/source_hsolver") set(PSI_PATH "${ABACUS_SOURCE_DIR}/module_psi") set(ENABLE_LCAO ON) list(APPEND CMAKE_MODULE_PATH "${PROJECT_SOURCE_DIR}/../../cmake") diff --git a/python/pyabacus/CONTRIBUTING.md b/python/pyabacus/CONTRIBUTING.md index ee3a89297f..202e7385ac 100644 --- a/python/pyabacus/CONTRIBUTING.md +++ b/python/pyabacus/CONTRIBUTING.md @@ -74,7 +74,7 @@ find_package(pybind11 CONFIG REQUIRED) set(ABACUS_SOURCE_DIR "${PROJECT_SOURCE_DIR}/../../source") set(BASE_PATH "${ABACUS_SOURCE_DIR}/module_base") set(NAO_PATH "${ABACUS_SOURCE_DIR}/module_basis/module_nao") -set(HSOLVER_PATH "${ABACUS_SOURCE_DIR}/module_hsolver") +set(HSOLVER_PATH "${ABACUS_SOURCE_DIR}/source_hsolver") set(PSI_PATH "${ABACUS_SOURCE_DIR}/module_psi") set(ENABLE_LCAO ON) list(APPEND CMAKE_MODULE_PATH "${PROJECT_SOURCE_DIR}/../../cmake") diff --git a/python/pyabacus/src/hsolver/py_diago_cg.hpp b/python/pyabacus/src/hsolver/py_diago_cg.hpp index f907e2e764..95742ab62c 100644 --- a/python/pyabacus/src/hsolver/py_diago_cg.hpp +++ b/python/pyabacus/src/hsolver/py_diago_cg.hpp @@ -14,7 +14,7 @@ #include #include -#include "module_hsolver/diago_cg.h" +#include "source_hsolver/diago_cg.h" #include "module_base/module_device/memory_op.h" namespace py = pybind11; diff --git a/python/pyabacus/src/hsolver/py_diago_dav_subspace.hpp b/python/pyabacus/src/hsolver/py_diago_dav_subspace.hpp index 897d8d668e..316bd9be74 100644 --- a/python/pyabacus/src/hsolver/py_diago_dav_subspace.hpp +++ b/python/pyabacus/src/hsolver/py_diago_dav_subspace.hpp @@ -10,7 +10,7 @@ #include #include -#include "module_hsolver/diago_dav_subspace.h" +#include "source_hsolver/diago_dav_subspace.h" namespace py = pybind11; diff --git a/python/pyabacus/src/hsolver/py_diago_david.hpp b/python/pyabacus/src/hsolver/py_diago_david.hpp index 7087af632e..2042443dd5 100644 --- a/python/pyabacus/src/hsolver/py_diago_david.hpp +++ b/python/pyabacus/src/hsolver/py_diago_david.hpp @@ -10,7 +10,7 @@ #include #include -#include "module_hsolver/diago_david.h" +#include "source_hsolver/diago_david.h" namespace py = pybind11; diff --git a/python/pyabacus/src/hsolver/py_hsolver.cpp b/python/pyabacus/src/hsolver/py_hsolver.cpp index 3c4d1c66c4..0ff9527357 100644 --- a/python/pyabacus/src/hsolver/py_hsolver.cpp +++ b/python/pyabacus/src/hsolver/py_hsolver.cpp @@ -5,7 +5,7 @@ #include #include -#include "module_hsolver/diago_dav_subspace.h" +#include "source_hsolver/diago_dav_subspace.h" #include "module_base/kernels/math_kernel_op.h" #include "module_base/module_device/types.h" diff --git a/source/CMakeLists.txt b/source/CMakeLists.txt index 81c74d7a70..062e93bbe9 100644 --- a/source/CMakeLists.txt +++ b/source/CMakeLists.txt @@ -5,7 +5,7 @@ add_subdirectory(module_elecstate) add_subdirectory(module_hamilt_general) add_subdirectory(module_hamilt_pw) add_subdirectory(module_hamilt_lcao) -add_subdirectory(module_hsolver) +add_subdirectory(source_hsolver) add_subdirectory(module_basis/module_ao) add_subdirectory(module_basis/module_nao) add_subdirectory(module_md) @@ -35,8 +35,8 @@ list(APPEND device_srcs module_hamilt_pw/hamilt_pwdft/kernels/meta_op.cpp module_hamilt_pw/hamilt_stodft/kernels/hpsi_norm_op.cpp module_basis/module_pw/kernels/pw_op.cpp - module_hsolver/kernels/dngvd_op.cpp - module_hsolver/kernels/bpcg_kernel_op.cpp + source_hsolver/kernels/dngvd_op.cpp + source_hsolver/kernels/bpcg_kernel_op.cpp module_elecstate/kernels/elecstate_op.cpp # module_psi/kernels/psi_memory_op.cpp @@ -65,8 +65,8 @@ if(USE_CUDA) module_hamilt_pw/hamilt_stodft/kernels/cuda/hpsi_norm_op.cu module_hamilt_pw/hamilt_pwdft/kernels/cuda/onsite_op.cu module_basis/module_pw/kernels/cuda/pw_op.cu - module_hsolver/kernels/cuda/dngvd_op.cu - module_hsolver/kernels/cuda/bpcg_kernel_op.cu + source_hsolver/kernels/cuda/dngvd_op.cu + source_hsolver/kernels/cuda/bpcg_kernel_op.cu module_elecstate/kernels/cuda/elecstate_op.cu # module_psi/kernels/cuda/memory_op.cu @@ -92,8 +92,8 @@ if(USE_ROCM) module_hamilt_pw/hamilt_pwdft/kernels/rocm/onsite_op.hip.cu module_hamilt_pw/hamilt_stodft/kernels/rocm/hpsi_norm_op.hip.cu module_basis/module_pw/kernels/rocm/pw_op.hip.cu - module_hsolver/kernels/rocm/dngvd_op.hip.cu - module_hsolver/kernels/rocm/bpcg_kernel_op.hip.cu + source_hsolver/kernels/rocm/dngvd_op.hip.cu + source_hsolver/kernels/rocm/bpcg_kernel_op.hip.cu module_elecstate/kernels/rocm/elecstate_op.hip.cu # module_psi/kernels/rocm/memory_op.hip.cu diff --git a/source/Makefile.Objects b/source/Makefile.Objects index 5ba43e755e..d65c057c9c 100644 --- a/source/Makefile.Objects +++ b/source/Makefile.Objects @@ -30,10 +30,10 @@ VPATH=./src_global:\ ./module_basis/module_pw:\ ./module_basis/module_pw/module_fft:\ ./source_esolver:\ -./module_hsolver:\ -./module_hsolver/kernels:\ -./module_hsolver/genelpa:\ -./module_hsolver/module_pexsi:\ +./source_hsolver:\ +./source_hsolver/kernels:\ +./source_hsolver/genelpa:\ +./source_hsolver/module_pexsi:\ ./module_elecstate:\ ./module_elecstate/kernels:\ ./module_elecstate/module_pot:\ diff --git a/source/module_base/kernels/dsp/dsp_connector.h b/source/module_base/kernels/dsp/dsp_connector.h index bbda25f798..ef7eb0bdc8 100644 --- a/source/module_base/kernels/dsp/dsp_connector.h +++ b/source/module_base/kernels/dsp/dsp_connector.h @@ -4,7 +4,7 @@ #include "module_base/module_device/device.h" #include "module_base/module_device/memory_op.h" -#include "module_hsolver/diag_comm_info.h" +#include "source_hsolver/diag_comm_info.h" namespace mtfunc { diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/hamilt_lcao.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/hamilt_lcao.cpp index 0788c56899..953f35579c 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/hamilt_lcao.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/hamilt_lcao.cpp @@ -20,14 +20,14 @@ #endif #ifdef __ELPA -#include "module_hsolver/diago_elpa.h" +#include "source_hsolver/diago_elpa.h" #endif #include "module_elecstate/module_pot/H_TDDFT_pw.h" #include "module_hamilt_general/module_xc/xc_functional.h" #include "module_hamilt_lcao/module_deltaspin/spin_constrain.h" #include "module_hamilt_lcao/module_hcontainer/hcontainer_funcs.h" -#include "module_hsolver/hsolver_lcao.h" +#include "source_hsolver/hsolver_lcao.h" #include "operator_lcao/dftu_lcao.h" #include "operator_lcao/dspin_lcao.h" #include "operator_lcao/ekinetic_new.h" 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 27846bdd82..b108dfcbb6 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 @@ -3,13 +3,13 @@ #include "module_base/timer.h" #include "module_base/tool_title.h" #include "module_hamilt_lcao/module_hcontainer/hcontainer_funcs.h" -#include "module_hsolver/hsolver_lcao.h" +#include "source_hsolver/hsolver_lcao.h" #include "module_parameter/parameter.h" #ifdef __ELPA -#include "module_hsolver/diago_elpa.h" -#include "module_hsolver/diago_elpa_native.h" +#include "source_hsolver/diago_elpa.h" +#include "source_hsolver/diago_elpa_native.h" #endif namespace hamilt { 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 0422c17a7f..2721c30965 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 @@ -1,13 +1,13 @@ #include "module_base/timer.h" #include "module_base/tool_title.h" -#include "module_hsolver/diago_iter_assist.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 "module_hsolver/hsolver_lcao.h" -#include "module_hsolver/hsolver_pw.h" +#include "source_hsolver/hsolver_lcao.h" +#include "source_hsolver/hsolver_pw.h" #include "module_elecstate/elecstate_pw.h" #include "module_elecstate/elecstate_tools.h" diff --git a/source/module_hamilt_lcao/module_gint/grid_technique.cpp b/source/module_hamilt_lcao/module_gint/grid_technique.cpp index d97fde3a19..c61b7cc702 100644 --- a/source/module_hamilt_lcao/module_gint/grid_technique.cpp +++ b/source/module_hamilt_lcao/module_gint/grid_technique.cpp @@ -8,7 +8,7 @@ #include "module_base/parallel_reduce.h" #include "module_base/timer.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" -#include "module_hsolver/kernels/cuda/helper_cuda.h" +#include "source_hsolver/kernels/cuda/helper_cuda.h" #include "module_hamilt_lcao/module_gint/temp_gint/gint_helper.h" diff --git a/source/module_hamilt_pw/hamilt_stodft/sto_elecond.h b/source/module_hamilt_pw/hamilt_stodft/sto_elecond.h index f61040cc8e..19f5a73b7a 100644 --- a/source/module_hamilt_pw/hamilt_stodft/sto_elecond.h +++ b/source/module_hamilt_pw/hamilt_stodft/sto_elecond.h @@ -4,7 +4,7 @@ #include "module_hamilt_general/hamilt.h" #include "module_hamilt_pw/hamilt_pwdft/elecond.h" #include "module_hamilt_pw/hamilt_stodft/sto_wf.h" -#include "module_hsolver/hsolver_pw_sdft.h" +#include "source_hsolver/hsolver_pw_sdft.h" template class Sto_EleCond : protected EleCond diff --git a/source/module_hamilt_pw/hamilt_stodft/sto_iter.cpp b/source/module_hamilt_pw/hamilt_stodft/sto_iter.cpp index 1134c7777b..47519d787f 100644 --- a/source/module_hamilt_pw/hamilt_stodft/sto_iter.cpp +++ b/source/module_hamilt_pw/hamilt_stodft/sto_iter.cpp @@ -9,7 +9,7 @@ #include "module_elecstate/kernels/elecstate_op.h" #include "module_elecstate/occupy.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" -#include "module_hsolver/para_linear_transform.h" +#include "source_hsolver/para_linear_transform.h" #include "module_parameter/parameter.h" template diff --git a/source/module_io/input_conv.cpp b/source/module_io/input_conv.cpp index be89b612a8..32c4b30885 100644 --- a/source/module_io/input_conv.cpp +++ b/source/module_io/input_conv.cpp @@ -27,11 +27,11 @@ #include "module_hamilt_lcao/module_tddft/td_velocity.h" #endif #ifdef __PEXSI -#include "module_hsolver/module_pexsi/pexsi_solver.h" +#include "source_hsolver/module_pexsi/pexsi_solver.h" #endif #ifdef __MPI -#include "module_hsolver/diago_elpa.h" -#include "module_hsolver/diago_elpa_native.h" +#include "source_hsolver/diago_elpa.h" +#include "source_hsolver/diago_elpa_native.h" #endif #include "module_base/module_device/device.h" @@ -39,8 +39,8 @@ #include "module_elecstate/elecstate_lcao.h" #include "module_elecstate/module_pot/efield.h" #include "module_elecstate/module_pot/gatefield.h" -#include "module_hsolver/hsolver_lcao.h" -#include "module_hsolver/hsolver_pw.h" +#include "source_hsolver/hsolver_lcao.h" +#include "source_hsolver/hsolver_pw.h" #include "module_md/md_func.h" #ifdef __LCAO diff --git a/source/module_io/test/for_testing_input_conv.h b/source/module_io/test/for_testing_input_conv.h index 1c22c45fd1..2b645f9a8e 100644 --- a/source/module_io/test/for_testing_input_conv.h +++ b/source/module_io/test/for_testing_input_conv.h @@ -16,7 +16,7 @@ #include "module_hamilt_lcao/module_tddft/td_velocity.h" #include "module_hamilt_pw/hamilt_pwdft/VNL_in_pw.h" #include "module_hamilt_pw/hamilt_pwdft/structure_factor.h" -#include "module_hsolver/hsolver_lcao.h" +#include "source_hsolver/hsolver_lcao.h" #include "module_io/berryphase.h" #include "module_io/restart.h" #include "module_md/md_func.h" @@ -25,7 +25,7 @@ #include "module_relax/relax_old/ions_move_cg.h" #include "module_relax/relax_old/lattice_change_basic.h" #ifdef __PEXSI -#include "module_hsolver/module_pexsi/pexsi_solver.h" +#include "source_hsolver/module_pexsi/pexsi_solver.h" #endif #undef private bool berryphase::berry_phase_flag = false; diff --git a/source/module_lr/hsolver_lrtd.hpp b/source/module_lr/hsolver_lrtd.hpp index 4fc4ec698b..c04b7e385a 100644 --- a/source/module_lr/hsolver_lrtd.hpp +++ b/source/module_lr/hsolver_lrtd.hpp @@ -1,10 +1,10 @@ #pragma once #include "module_parameter/parameter.h" -#include "module_hsolver/diago_david.h" -#include "module_hsolver/diago_dav_subspace.h" -#include "module_hsolver/diago_cg.h" -#include "module_hsolver/diago_iter_assist.h" -#include "module_hsolver/diago_cg.h" +#include "source_hsolver/diago_david.h" +#include "source_hsolver/diago_dav_subspace.h" +#include "source_hsolver/diago_cg.h" +#include "source_hsolver/diago_iter_assist.h" +#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" diff --git a/source/module_psi/psi_init.cpp b/source/module_psi/psi_init.cpp index 11c9ecb7b7..38c3b4c5d0 100644 --- a/source/module_psi/psi_init.cpp +++ b/source/module_psi/psi_init.cpp @@ -5,7 +5,7 @@ #include "module_base/parallel_device.h" #include "module_base/timer.h" #include "module_base/tool_quit.h" -#include "module_hsolver/diago_iter_assist.h" +#include "source_hsolver/diago_iter_assist.h" #include "module_parameter/parameter.h" #include "module_psi/psi_initializer_atomic.h" #include "module_psi/psi_initializer_atomic_random.h" diff --git a/source/source_esolver/esolver_ks.cpp b/source/source_esolver/esolver_ks.cpp index fbb38badfb..9bfca23bfd 100644 --- a/source/source_esolver/esolver_ks.cpp +++ b/source/source_esolver/esolver_ks.cpp @@ -12,7 +12,7 @@ #include "module_cell/cal_atoms_info.h" #include "module_elecstate/elecstate_print.h" #include "module_hamilt_general/module_xc/xc_functional.h" -#include "module_hsolver/hsolver.h" +#include "source_hsolver/hsolver.h" #include "module_io/cube_io.h" // for NSCF calculations of band structures diff --git a/source/source_esolver/esolver_ks_lcao.cpp b/source/source_esolver/esolver_ks_lcao.cpp index c673bf36cb..ab4bac8ae7 100644 --- a/source/source_esolver/esolver_ks_lcao.cpp +++ b/source/source_esolver/esolver_ks_lcao.cpp @@ -56,7 +56,7 @@ //-----HSolver ElecState Hamilt-------- #include "module_elecstate/elecstate_lcao.h" #include "module_hamilt_lcao/hamilt_lcaodft/hamilt_lcao.h" -#include "module_hsolver/hsolver_lcao.h" +#include "source_hsolver/hsolver_lcao.h" // test RDMFT #include "module_rdmft/rdmft.h" diff --git a/source/source_esolver/esolver_ks_lcao_tddft.cpp b/source/source_esolver/esolver_ks_lcao_tddft.cpp index b65b35632e..b338d7e2dc 100644 --- a/source/source_esolver/esolver_ks_lcao_tddft.cpp +++ b/source/source_esolver/esolver_ks_lcao_tddft.cpp @@ -26,7 +26,7 @@ #include "module_elecstate/cal_ux.h" #include "module_elecstate/elecstate_lcao.h" #include "module_hamilt_lcao/hamilt_lcaodft/hamilt_lcao.h" -#include "module_hsolver/hsolver_lcao.h" +#include "source_hsolver/hsolver_lcao.h" #include "module_parameter/parameter.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 23a8f6f7d4..2f07137996 100644 --- a/source/source_esolver/esolver_ks_lcaopw.cpp +++ b/source/source_esolver/esolver_ks_lcaopw.cpp @@ -22,9 +22,9 @@ #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 "module_hsolver/diago_iter_assist.h" -#include "module_hsolver/hsolver_lcaopw.h" -#include "module_hsolver/kernels/dngvd_op.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 "module_io/berryphase.h" #include "module_io/numerical_basis.h" diff --git a/source/source_esolver/esolver_ks_lcaopw.h b/source/source_esolver/esolver_ks_lcaopw.h index a230c6fbfb..24c5f659e9 100644 --- a/source/source_esolver/esolver_ks_lcaopw.h +++ b/source/source_esolver/esolver_ks_lcaopw.h @@ -1,7 +1,7 @@ #ifndef ESOLVER_KS_LIP_H #define ESOLVER_KS_LIP_H #include "source_esolver/esolver_ks_pw.h" -#include "module_hsolver/hsolver_lcaopw.h" +#include "source_hsolver/hsolver_lcaopw.h" #ifdef __EXX #include "module_ri/exx_lip.h" diff --git a/source/source_esolver/esolver_ks_pw.cpp b/source/source_esolver/esolver_ks_pw.cpp index b10e2a8641..7ead98436b 100644 --- a/source/source_esolver/esolver_ks_pw.cpp +++ b/source/source_esolver/esolver_ks_pw.cpp @@ -18,9 +18,9 @@ #include "module_hamilt_pw/hamilt_pwdft/hamilt_pw.h" #include "module_hamilt_pw/hamilt_pwdft/onsite_projector.h" #include "module_hamilt_pw/hamilt_pwdft/stress_pw.h" -#include "module_hsolver/diago_iter_assist.h" -#include "module_hsolver/hsolver_pw.h" -#include "module_hsolver/kernels/dngvd_op.h" +#include "source_hsolver/diago_iter_assist.h" +#include "source_hsolver/hsolver_pw.h" +#include "source_hsolver/kernels/dngvd_op.h" #include "module_io/berryphase.h" #include "module_io/cal_ldos.h" #include "module_io/get_pchg_pw.h" diff --git a/source/source_esolver/esolver_sdft_pw.cpp b/source/source_esolver/esolver_sdft_pw.cpp index 928d1bb052..6559b3a778 100644 --- a/source/source_esolver/esolver_sdft_pw.cpp +++ b/source/source_esolver/esolver_sdft_pw.cpp @@ -7,7 +7,7 @@ #include "module_hamilt_pw/hamilt_stodft/sto_elecond.h" #include "module_hamilt_pw/hamilt_stodft/sto_forces.h" #include "module_hamilt_pw/hamilt_stodft/sto_stress_pw.h" -#include "module_hsolver/diago_iter_assist.h" +#include "source_hsolver/diago_iter_assist.h" #include "module_io/write_istate_info.h" #include "module_parameter/parameter.h" diff --git a/source/source_esolver/pw_others.cpp b/source/source_esolver/pw_others.cpp index 8e2fd78c71..013e4eb9d7 100644 --- a/source/source_esolver/pw_others.cpp +++ b/source/source_esolver/pw_others.cpp @@ -24,9 +24,9 @@ #include "module_elecstate/elecstate_pw.h" #include "module_hamilt_general/module_vdw/vdw.h" #include "module_hamilt_pw/hamilt_pwdft/hamilt_pw.h" -#include "module_hsolver/diago_iter_assist.h" -#include "module_hsolver/hsolver_pw.h" -#include "module_hsolver/kernels/dngvd_op.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 "module_io/berryphase.h" #include "module_io/numerical_basis.h" diff --git a/source/module_hsolver/CMakeLists.txt b/source/source_hsolver/CMakeLists.txt similarity index 100% rename from source/module_hsolver/CMakeLists.txt rename to source/source_hsolver/CMakeLists.txt diff --git a/source/module_hsolver/diag_comm_info.h b/source/source_hsolver/diag_comm_info.h similarity index 100% rename from source/module_hsolver/diag_comm_info.h rename to source/source_hsolver/diag_comm_info.h diff --git a/source/module_hsolver/diag_const_nums.cpp b/source/source_hsolver/diag_const_nums.cpp similarity index 100% rename from source/module_hsolver/diag_const_nums.cpp rename to source/source_hsolver/diag_const_nums.cpp diff --git a/source/module_hsolver/diag_const_nums.h b/source/source_hsolver/diag_const_nums.h similarity index 100% rename from source/module_hsolver/diag_const_nums.h rename to source/source_hsolver/diag_const_nums.h diff --git a/source/module_hsolver/diag_hs_para.cpp b/source/source_hsolver/diag_hs_para.cpp similarity index 98% rename from source/module_hsolver/diag_hs_para.cpp rename to source/source_hsolver/diag_hs_para.cpp index 43d25a3112..8246fb2a3f 100644 --- a/source/module_hsolver/diag_hs_para.cpp +++ b/source/source_hsolver/diag_hs_para.cpp @@ -1,11 +1,11 @@ -#include "module_hsolver/diag_hs_para.h" +#include "source_hsolver/diag_hs_para.h" #include "module_base/scalapack_connector.h" #include "module_base/parallel_2d.h" -#include "module_hsolver/diago_pxxxgvx.h" +#include "source_hsolver/diago_pxxxgvx.h" #ifdef __ELPA -#include "module_hsolver/genelpa/elpa_solver.h" +#include "source_hsolver/genelpa/elpa_solver.h" #endif #include diff --git a/source/module_hsolver/diag_hs_para.h b/source/source_hsolver/diag_hs_para.h similarity index 100% rename from source/module_hsolver/diag_hs_para.h rename to source/source_hsolver/diag_hs_para.h diff --git a/source/module_hsolver/diago_bpcg.cpp b/source/source_hsolver/diago_bpcg.cpp similarity index 99% rename from source/module_hsolver/diago_bpcg.cpp rename to source/source_hsolver/diago_bpcg.cpp index a9f43b90a2..c04be1699b 100644 --- a/source/module_hsolver/diago_bpcg.cpp +++ b/source/source_hsolver/diago_bpcg.cpp @@ -1,11 +1,11 @@ -#include "module_hsolver/diago_bpcg.h" +#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 "module_hsolver/kernels/bpcg_kernel_op.h" +#include "source_hsolver/kernels/bpcg_kernel_op.h" #include "para_linear_transform.h" #include diff --git a/source/module_hsolver/diago_bpcg.h b/source/source_hsolver/diago_bpcg.h similarity index 99% rename from source/module_hsolver/diago_bpcg.h rename to source/source_hsolver/diago_bpcg.h index 27d8e6a0ae..7c1553184d 100644 --- a/source/module_hsolver/diago_bpcg.h +++ b/source/source_hsolver/diago_bpcg.h @@ -7,8 +7,8 @@ #include "module_base/para_gemm.h" #include "module_hamilt_general/hamilt.h" #include "module_hamilt_pw/hamilt_pwdft/structure_factor.h" -#include "module_hsolver/kernels/dngvd_op.h" -#include "module_hsolver/para_linear_transform.h" +#include "source_hsolver/kernels/dngvd_op.h" +#include "source_hsolver/para_linear_transform.h" #include #include diff --git a/source/module_hsolver/diago_cg.cpp b/source/source_hsolver/diago_cg.cpp similarity index 99% rename from source/module_hsolver/diago_cg.cpp rename to source/source_hsolver/diago_cg.cpp index b0eaaad008..7b4a1a9f79 100644 --- a/source/module_hsolver/diago_cg.cpp +++ b/source/source_hsolver/diago_cg.cpp @@ -10,7 +10,7 @@ #include #include // ModuleBase::TITLE #include // ModuleBase::GlobalFunc::NOTE -#include +#include using namespace hsolver; diff --git a/source/module_hsolver/diago_cg.h b/source/source_hsolver/diago_cg.h similarity index 100% rename from source/module_hsolver/diago_cg.h rename to source/source_hsolver/diago_cg.h diff --git a/source/module_hsolver/diago_cusolver.cpp b/source/source_hsolver/diago_cusolver.cpp similarity index 100% rename from source/module_hsolver/diago_cusolver.cpp rename to source/source_hsolver/diago_cusolver.cpp diff --git a/source/module_hsolver/diago_cusolver.h b/source/source_hsolver/diago_cusolver.h similarity index 90% rename from source/module_hsolver/diago_cusolver.h rename to source/source_hsolver/diago_cusolver.h index ed67357f3f..1921b32e70 100644 --- a/source/module_hsolver/diago_cusolver.h +++ b/source/source_hsolver/diago_cusolver.h @@ -4,8 +4,8 @@ #include "module_base/macros.h" // GetRealType #include "module_hamilt_general/hamilt.h" #include "module_basis/module_ao/parallel_orbitals.h" -#include "module_hsolver/kernels/cuda/diag_cusolver.cuh" -// #include "module_hsolver/kernels/cuda/dngvd_op.cu" +#include "source_hsolver/kernels/cuda/diag_cusolver.cuh" +// #include "source_hsolver/kernels/cuda/dngvd_op.cu" namespace hsolver { diff --git a/source/module_hsolver/diago_cusolvermp.cpp b/source/source_hsolver/diago_cusolvermp.cpp similarity index 100% rename from source/module_hsolver/diago_cusolvermp.cpp rename to source/source_hsolver/diago_cusolvermp.cpp diff --git a/source/module_hsolver/diago_cusolvermp.h b/source/source_hsolver/diago_cusolvermp.h similarity index 91% rename from source/module_hsolver/diago_cusolvermp.h rename to source/source_hsolver/diago_cusolvermp.h index 30dbfc5459..02cc22568f 100644 --- a/source/module_hsolver/diago_cusolvermp.h +++ b/source/source_hsolver/diago_cusolvermp.h @@ -5,7 +5,7 @@ #include "module_hamilt_general/hamilt.h" #include "module_base/macros.h" #include "module_basis/module_ao/parallel_orbitals.h" -#include "module_hsolver/kernels/cuda/diag_cusolvermp.cuh" +#include "source_hsolver/kernels/cuda/diag_cusolvermp.cuh" namespace hsolver { // DiagoCusolverMP class, for diagonalization using CUSOLVERMP diff --git a/source/module_hsolver/diago_dav_subspace.cpp b/source/source_hsolver/diago_dav_subspace.cpp similarity index 99% rename from source/module_hsolver/diago_dav_subspace.cpp rename to source/source_hsolver/diago_dav_subspace.cpp index 3440a778e8..4efe46b2ab 100644 --- a/source/module_hsolver/diago_dav_subspace.cpp +++ b/source/source_hsolver/diago_dav_subspace.cpp @@ -4,12 +4,12 @@ #include "module_base/memory.h" #include "module_base/module_device/device.h" #include "module_base/timer.h" -#include "module_hsolver/kernels/dngvd_op.h" +#include "source_hsolver/kernels/dngvd_op.h" #include "module_base/kernels/math_kernel_op.h" -#include "module_hsolver/kernels/bpcg_kernel_op.h" +#include "source_hsolver/kernels/bpcg_kernel_op.h" #include "module_base/kernels/dsp/dsp_connector.h" -#include "module_hsolver/diag_hs_para.h" +#include "source_hsolver/diag_hs_para.h" #include diff --git a/source/module_hsolver/diago_dav_subspace.h b/source/source_hsolver/diago_dav_subspace.h similarity index 98% rename from source/module_hsolver/diago_dav_subspace.h rename to source/source_hsolver/diago_dav_subspace.h index 3abbf5d9aa..a6dd87d799 100644 --- a/source/module_hsolver/diago_dav_subspace.h +++ b/source/source_hsolver/diago_dav_subspace.h @@ -5,8 +5,8 @@ #include "module_base/module_device/device.h" // base_device #include "module_base/module_device/memory_op.h"// base_device::memory" -#include "module_hsolver/diag_comm_info.h" -#include "module_hsolver/diag_const_nums.h" +#include "source_hsolver/diag_comm_info.h" +#include "source_hsolver/diag_const_nums.h" #include #include diff --git a/source/module_hsolver/diago_david.cpp b/source/source_hsolver/diago_david.cpp similarity index 99% rename from source/module_hsolver/diago_david.cpp rename to source/source_hsolver/diago_david.cpp index 52ad1bb49c..ec1599bee8 100644 --- a/source/module_hsolver/diago_david.cpp +++ b/source/source_hsolver/diago_david.cpp @@ -4,7 +4,7 @@ #include "module_base/tool_title.h" // ModuleBase::TITLE #include "module_base/module_device/device.h" -#include "module_hsolver/kernels/dngvd_op.h" +#include "source_hsolver/kernels/dngvd_op.h" #include "module_base/kernels/math_kernel_op.h" diff --git a/source/module_hsolver/diago_david.h b/source/source_hsolver/diago_david.h similarity index 99% rename from source/module_hsolver/diago_david.h rename to source/source_hsolver/diago_david.h index 7a12b625fe..8ea981d342 100644 --- a/source/module_hsolver/diago_david.h +++ b/source/source_hsolver/diago_david.h @@ -5,7 +5,7 @@ #include "module_base/module_device/device.h" // base_device #include "module_base/module_device/memory_op.h"// base_device::memory -#include "module_hsolver/diag_comm_info.h" +#include "source_hsolver/diag_comm_info.h" #include #include diff --git a/source/module_hsolver/diago_elpa.cpp b/source/source_hsolver/diago_elpa.cpp similarity index 100% rename from source/module_hsolver/diago_elpa.cpp rename to source/source_hsolver/diago_elpa.cpp diff --git a/source/module_hsolver/diago_elpa.h b/source/source_hsolver/diago_elpa.h similarity index 100% rename from source/module_hsolver/diago_elpa.h rename to source/source_hsolver/diago_elpa.h diff --git a/source/module_hsolver/diago_elpa_native.cpp b/source/source_hsolver/diago_elpa_native.cpp similarity index 99% rename from source/module_hsolver/diago_elpa_native.cpp rename to source/source_hsolver/diago_elpa_native.cpp index 213ac67819..ad7846d7ee 100644 --- a/source/module_hsolver/diago_elpa_native.cpp +++ b/source/source_hsolver/diago_elpa_native.cpp @@ -7,7 +7,7 @@ #include "module_base/scalapack_connector.h" #include "module_base/timer.h" #include "module_base/tool_quit.h" -#include "module_hsolver/genelpa/elpa_new.h" +#include "source_hsolver/genelpa/elpa_new.h" #include "omp.h" namespace hsolver diff --git a/source/module_hsolver/diago_elpa_native.h b/source/source_hsolver/diago_elpa_native.h similarity index 100% rename from source/module_hsolver/diago_elpa_native.h rename to source/source_hsolver/diago_elpa_native.h diff --git a/source/module_hsolver/diago_iter_assist.cpp b/source/source_hsolver/diago_iter_assist.cpp similarity index 99% rename from source/module_hsolver/diago_iter_assist.cpp rename to source/source_hsolver/diago_iter_assist.cpp index afc865f2ef..d2bfb71e78 100644 --- a/source/module_hsolver/diago_iter_assist.cpp +++ b/source/source_hsolver/diago_iter_assist.cpp @@ -8,7 +8,7 @@ #include "module_base/module_device/device.h" #include "module_base/parallel_reduce.h" #include "module_base/timer.h" -#include "module_hsolver/kernels/dngvd_op.h" +#include "source_hsolver/kernels/dngvd_op.h" #include "module_base/kernels/math_kernel_op.h" namespace hsolver diff --git a/source/module_hsolver/diago_iter_assist.h b/source/source_hsolver/diago_iter_assist.h similarity index 100% rename from source/module_hsolver/diago_iter_assist.h rename to source/source_hsolver/diago_iter_assist.h diff --git a/source/module_hsolver/diago_lapack.cpp b/source/source_hsolver/diago_lapack.cpp similarity index 100% rename from source/module_hsolver/diago_lapack.cpp rename to source/source_hsolver/diago_lapack.cpp diff --git a/source/module_hsolver/diago_lapack.h b/source/source_hsolver/diago_lapack.h similarity index 100% rename from source/module_hsolver/diago_lapack.h rename to source/source_hsolver/diago_lapack.h diff --git a/source/module_hsolver/diago_pexsi.cpp b/source/source_hsolver/diago_pexsi.cpp similarity index 100% rename from source/module_hsolver/diago_pexsi.cpp rename to source/source_hsolver/diago_pexsi.cpp diff --git a/source/module_hsolver/diago_pexsi.h b/source/source_hsolver/diago_pexsi.h similarity index 100% rename from source/module_hsolver/diago_pexsi.h rename to source/source_hsolver/diago_pexsi.h diff --git a/source/module_hsolver/diago_pxxxgvx.cpp b/source/source_hsolver/diago_pxxxgvx.cpp similarity index 100% rename from source/module_hsolver/diago_pxxxgvx.cpp rename to source/source_hsolver/diago_pxxxgvx.cpp diff --git a/source/module_hsolver/diago_pxxxgvx.h b/source/source_hsolver/diago_pxxxgvx.h similarity index 100% rename from source/module_hsolver/diago_pxxxgvx.h rename to source/source_hsolver/diago_pxxxgvx.h diff --git a/source/module_hsolver/diago_scalapack.cpp b/source/source_hsolver/diago_scalapack.cpp similarity index 100% rename from source/module_hsolver/diago_scalapack.cpp rename to source/source_hsolver/diago_scalapack.cpp diff --git a/source/module_hsolver/diago_scalapack.h b/source/source_hsolver/diago_scalapack.h similarity index 100% rename from source/module_hsolver/diago_scalapack.h rename to source/source_hsolver/diago_scalapack.h diff --git a/source/module_hsolver/genelpa/CMakeLists.txt b/source/source_hsolver/genelpa/CMakeLists.txt similarity index 100% rename from source/module_hsolver/genelpa/CMakeLists.txt rename to source/source_hsolver/genelpa/CMakeLists.txt diff --git a/source/module_hsolver/genelpa/Cblacs.h b/source/source_hsolver/genelpa/Cblacs.h similarity index 100% rename from source/module_hsolver/genelpa/Cblacs.h rename to source/source_hsolver/genelpa/Cblacs.h diff --git a/source/module_hsolver/genelpa/README b/source/source_hsolver/genelpa/README similarity index 100% rename from source/module_hsolver/genelpa/README rename to source/source_hsolver/genelpa/README diff --git a/source/module_hsolver/genelpa/elpa_generic.hpp b/source/source_hsolver/genelpa/elpa_generic.hpp similarity index 100% rename from source/module_hsolver/genelpa/elpa_generic.hpp rename to source/source_hsolver/genelpa/elpa_generic.hpp diff --git a/source/module_hsolver/genelpa/elpa_new.cpp b/source/source_hsolver/genelpa/elpa_new.cpp similarity index 100% rename from source/module_hsolver/genelpa/elpa_new.cpp rename to source/source_hsolver/genelpa/elpa_new.cpp diff --git a/source/module_hsolver/genelpa/elpa_new.h b/source/source_hsolver/genelpa/elpa_new.h similarity index 100% rename from source/module_hsolver/genelpa/elpa_new.h rename to source/source_hsolver/genelpa/elpa_new.h diff --git a/source/module_hsolver/genelpa/elpa_new_complex.cpp b/source/source_hsolver/genelpa/elpa_new_complex.cpp similarity index 100% rename from source/module_hsolver/genelpa/elpa_new_complex.cpp rename to source/source_hsolver/genelpa/elpa_new_complex.cpp diff --git a/source/module_hsolver/genelpa/elpa_new_real.cpp b/source/source_hsolver/genelpa/elpa_new_real.cpp similarity index 100% rename from source/module_hsolver/genelpa/elpa_new_real.cpp rename to source/source_hsolver/genelpa/elpa_new_real.cpp diff --git a/source/module_hsolver/genelpa/elpa_solver.h b/source/source_hsolver/genelpa/elpa_solver.h similarity index 100% rename from source/module_hsolver/genelpa/elpa_solver.h rename to source/source_hsolver/genelpa/elpa_solver.h diff --git a/source/module_hsolver/genelpa/pblas.h b/source/source_hsolver/genelpa/pblas.h similarity index 100% rename from source/module_hsolver/genelpa/pblas.h rename to source/source_hsolver/genelpa/pblas.h diff --git a/source/module_hsolver/genelpa/scalapack.h b/source/source_hsolver/genelpa/scalapack.h similarity index 100% rename from source/module_hsolver/genelpa/scalapack.h rename to source/source_hsolver/genelpa/scalapack.h diff --git a/source/module_hsolver/genelpa/utils.cpp b/source/source_hsolver/genelpa/utils.cpp similarity index 100% rename from source/module_hsolver/genelpa/utils.cpp rename to source/source_hsolver/genelpa/utils.cpp diff --git a/source/module_hsolver/genelpa/utils.h b/source/source_hsolver/genelpa/utils.h similarity index 100% rename from source/module_hsolver/genelpa/utils.h rename to source/source_hsolver/genelpa/utils.h diff --git a/source/module_hsolver/hsolver.cpp b/source/source_hsolver/hsolver.cpp similarity index 100% rename from source/module_hsolver/hsolver.cpp rename to source/source_hsolver/hsolver.cpp diff --git a/source/module_hsolver/hsolver.h b/source/source_hsolver/hsolver.h similarity index 100% rename from source/module_hsolver/hsolver.h rename to source/source_hsolver/hsolver.h diff --git a/source/module_hsolver/hsolver_lcao.cpp b/source/source_hsolver/hsolver_lcao.cpp similarity index 99% rename from source/module_hsolver/hsolver_lcao.cpp rename to source/source_hsolver/hsolver_lcao.cpp index 6a361e08db..9aafbbcab0 100644 --- a/source/module_hsolver/hsolver_lcao.cpp +++ b/source/source_hsolver/hsolver_lcao.cpp @@ -31,7 +31,7 @@ #include "module_elecstate/elecstate_lcao.h" #include "module_elecstate/module_dm/cal_dm_psi.h" #include "module_elecstate/module_dm/density_matrix.h" -#include "module_hsolver/parallel_k2d.h" +#include "source_hsolver/parallel_k2d.h" #include "module_parameter/parameter.h" namespace hsolver diff --git a/source/module_hsolver/hsolver_lcao.h b/source/source_hsolver/hsolver_lcao.h similarity index 100% rename from source/module_hsolver/hsolver_lcao.h rename to source/source_hsolver/hsolver_lcao.h diff --git a/source/module_hsolver/hsolver_lcaopw.cpp b/source/source_hsolver/hsolver_lcaopw.cpp similarity index 98% rename from source/module_hsolver/hsolver_lcaopw.cpp rename to source/source_hsolver/hsolver_lcaopw.cpp index 1ae571b366..a279d4c8cc 100644 --- a/source/module_hsolver/hsolver_lcaopw.cpp +++ b/source/source_hsolver/hsolver_lcaopw.cpp @@ -7,7 +7,7 @@ #include "module_elecstate/elecstate_pw.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_hamilt_pw/hamilt_pwdft/hamilt_pw.h" -#include "module_hsolver/diago_iter_assist.h" +#include "source_hsolver/diago_iter_assist.h" #include "module_parameter/parameter.h" #include "module_elecstate/elecstate_tools.h" diff --git a/source/module_hsolver/hsolver_lcaopw.h b/source/source_hsolver/hsolver_lcaopw.h similarity index 100% rename from source/module_hsolver/hsolver_lcaopw.h rename to source/source_hsolver/hsolver_lcaopw.h diff --git a/source/module_hsolver/hsolver_pw.cpp b/source/source_hsolver/hsolver_pw.cpp similarity index 99% rename from source/module_hsolver/hsolver_pw.cpp rename to source/source_hsolver/hsolver_pw.cpp index 31f40bb9de..d6caafeab3 100644 --- a/source/module_hsolver/hsolver_pw.cpp +++ b/source/source_hsolver/hsolver_pw.cpp @@ -5,12 +5,12 @@ #include "module_base/tool_quit.h" #include "module_elecstate/elecstate_pw.h" #include "module_hamilt_general/hamilt.h" -#include "module_hsolver/diag_comm_info.h" -#include "module_hsolver/diago_bpcg.h" -#include "module_hsolver/diago_cg.h" -#include "module_hsolver/diago_dav_subspace.h" -#include "module_hsolver/diago_david.h" -#include "module_hsolver/diago_iter_assist.h" +#include "source_hsolver/diag_comm_info.h" +#include "source_hsolver/diago_bpcg.h" +#include "source_hsolver/diago_cg.h" +#include "source_hsolver/diago_dav_subspace.h" +#include "source_hsolver/diago_david.h" +#include "source_hsolver/diago_iter_assist.h" #include "module_parameter/parameter.h" #include "module_psi/psi.h" #include "module_elecstate/elecstate_tools.h" diff --git a/source/module_hsolver/hsolver_pw.h b/source/source_hsolver/hsolver_pw.h similarity index 100% rename from source/module_hsolver/hsolver_pw.h rename to source/source_hsolver/hsolver_pw.h diff --git a/source/module_hsolver/hsolver_pw_sdft.cpp b/source/source_hsolver/hsolver_pw_sdft.cpp similarity index 100% rename from source/module_hsolver/hsolver_pw_sdft.cpp rename to source/source_hsolver/hsolver_pw_sdft.cpp diff --git a/source/module_hsolver/hsolver_pw_sdft.h b/source/source_hsolver/hsolver_pw_sdft.h similarity index 100% rename from source/module_hsolver/hsolver_pw_sdft.h rename to source/source_hsolver/hsolver_pw_sdft.h diff --git a/source/module_hsolver/kernels/bpcg_kernel_op.cpp b/source/source_hsolver/kernels/bpcg_kernel_op.cpp similarity index 99% rename from source/module_hsolver/kernels/bpcg_kernel_op.cpp rename to source/source_hsolver/kernels/bpcg_kernel_op.cpp index 97cb7e5302..afd4be384c 100644 --- a/source/module_hsolver/kernels/bpcg_kernel_op.cpp +++ b/source/source_hsolver/kernels/bpcg_kernel_op.cpp @@ -1,4 +1,4 @@ -#include "module_hsolver/kernels/bpcg_kernel_op.h" +#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" diff --git a/source/module_hsolver/kernels/bpcg_kernel_op.h b/source/source_hsolver/kernels/bpcg_kernel_op.h similarity index 100% rename from source/module_hsolver/kernels/bpcg_kernel_op.h rename to source/source_hsolver/kernels/bpcg_kernel_op.h diff --git a/source/module_hsolver/kernels/cuda/bpcg_kernel_op.cu b/source/source_hsolver/kernels/cuda/bpcg_kernel_op.cu similarity index 99% rename from source/module_hsolver/kernels/cuda/bpcg_kernel_op.cu rename to source/source_hsolver/kernels/cuda/bpcg_kernel_op.cu index dd94823aad..5636326093 100644 --- a/source/module_hsolver/kernels/cuda/bpcg_kernel_op.cu +++ b/source/source_hsolver/kernels/cuda/bpcg_kernel_op.cu @@ -1,5 +1,5 @@ #include "module_base/kernels/math_kernel_op.h" -#include "module_hsolver/kernels/bpcg_kernel_op.h" +#include "source_hsolver/kernels/bpcg_kernel_op.h" #include #include diff --git a/source/module_hsolver/kernels/cuda/diag_cusolver.cu b/source/source_hsolver/kernels/cuda/diag_cusolver.cu similarity index 100% rename from source/module_hsolver/kernels/cuda/diag_cusolver.cu rename to source/source_hsolver/kernels/cuda/diag_cusolver.cu diff --git a/source/module_hsolver/kernels/cuda/diag_cusolver.cuh b/source/source_hsolver/kernels/cuda/diag_cusolver.cuh similarity index 100% rename from source/module_hsolver/kernels/cuda/diag_cusolver.cuh rename to source/source_hsolver/kernels/cuda/diag_cusolver.cuh diff --git a/source/module_hsolver/kernels/cuda/diag_cusolvermp.cu b/source/source_hsolver/kernels/cuda/diag_cusolvermp.cu similarity index 99% rename from source/module_hsolver/kernels/cuda/diag_cusolvermp.cu rename to source/source_hsolver/kernels/cuda/diag_cusolvermp.cu index 25975e6303..63f54147d7 100644 --- a/source/module_hsolver/kernels/cuda/diag_cusolvermp.cu +++ b/source/source_hsolver/kernels/cuda/diag_cusolvermp.cu @@ -7,7 +7,7 @@ extern "C" { -#include "module_hsolver/genelpa/Cblacs.h" +#include "source_hsolver/genelpa/Cblacs.h" } #include #include diff --git a/source/module_hsolver/kernels/cuda/diag_cusolvermp.cuh b/source/source_hsolver/kernels/cuda/diag_cusolvermp.cuh similarity index 100% rename from source/module_hsolver/kernels/cuda/diag_cusolvermp.cuh rename to source/source_hsolver/kernels/cuda/diag_cusolvermp.cuh diff --git a/source/module_hsolver/kernels/cuda/dngvd_op.cu b/source/source_hsolver/kernels/cuda/dngvd_op.cu similarity index 99% rename from source/module_hsolver/kernels/cuda/dngvd_op.cu rename to source/source_hsolver/kernels/cuda/dngvd_op.cu index aa5075cdbd..4ce3d9a1d0 100644 --- a/source/module_hsolver/kernels/cuda/dngvd_op.cu +++ b/source/source_hsolver/kernels/cuda/dngvd_op.cu @@ -1,4 +1,4 @@ -#include "module_hsolver/kernels/dngvd_op.h" +#include "source_hsolver/kernels/dngvd_op.h" #include "helper_cuda.h" #include diff --git a/source/module_hsolver/kernels/cuda/helper_cuda.h b/source/source_hsolver/kernels/cuda/helper_cuda.h similarity index 100% rename from source/module_hsolver/kernels/cuda/helper_cuda.h rename to source/source_hsolver/kernels/cuda/helper_cuda.h diff --git a/source/module_hsolver/kernels/cuda/helper_cusolver.h b/source/source_hsolver/kernels/cuda/helper_cusolver.h similarity index 100% rename from source/module_hsolver/kernels/cuda/helper_cusolver.h rename to source/source_hsolver/kernels/cuda/helper_cusolver.h diff --git a/source/module_hsolver/kernels/cuda/helper_string.h b/source/source_hsolver/kernels/cuda/helper_string.h similarity index 100% rename from source/module_hsolver/kernels/cuda/helper_string.h rename to source/source_hsolver/kernels/cuda/helper_string.h diff --git a/source/module_hsolver/kernels/dngvd_op.cpp b/source/source_hsolver/kernels/dngvd_op.cpp similarity index 99% rename from source/module_hsolver/kernels/dngvd_op.cpp rename to source/source_hsolver/kernels/dngvd_op.cpp index f993665735..66cb3c1233 100644 --- a/source/module_hsolver/kernels/dngvd_op.cpp +++ b/source/source_hsolver/kernels/dngvd_op.cpp @@ -1,4 +1,4 @@ -#include "module_hsolver/kernels/dngvd_op.h" +#include "source_hsolver/kernels/dngvd_op.h" #include #include diff --git a/source/module_hsolver/kernels/dngvd_op.h b/source/source_hsolver/kernels/dngvd_op.h similarity index 100% rename from source/module_hsolver/kernels/dngvd_op.h rename to source/source_hsolver/kernels/dngvd_op.h diff --git a/source/module_hsolver/kernels/rocm/bpcg_kernel_op.hip.cu b/source/source_hsolver/kernels/rocm/bpcg_kernel_op.hip.cu similarity index 99% rename from source/module_hsolver/kernels/rocm/bpcg_kernel_op.hip.cu rename to source/source_hsolver/kernels/rocm/bpcg_kernel_op.hip.cu index d7faf727a8..70f6494d2d 100644 --- a/source/module_hsolver/kernels/rocm/bpcg_kernel_op.hip.cu +++ b/source/source_hsolver/kernels/rocm/bpcg_kernel_op.hip.cu @@ -1,5 +1,5 @@ #include "module_base/kernels/math_kernel_op.h" -#include "module_hsolver/kernels/bpcg_kernel_op.h" +#include "source_hsolver/kernels/bpcg_kernel_op.h" #include #include diff --git a/source/module_hsolver/kernels/rocm/dngvd_op.hip.cu b/source/source_hsolver/kernels/rocm/dngvd_op.hip.cu similarity index 99% rename from source/module_hsolver/kernels/rocm/dngvd_op.hip.cu rename to source/source_hsolver/kernels/rocm/dngvd_op.hip.cu index 8cba06db1b..a359ccda87 100644 --- a/source/module_hsolver/kernels/rocm/dngvd_op.hip.cu +++ b/source/source_hsolver/kernels/rocm/dngvd_op.hip.cu @@ -1,4 +1,4 @@ -#include "module_hsolver/kernels/dngvd_op.h" +#include "source_hsolver/kernels/dngvd_op.h" #include #include diff --git a/source/module_hsolver/kernels/test/CMakeLists.txt b/source/source_hsolver/kernels/test/CMakeLists.txt similarity index 100% rename from source/module_hsolver/kernels/test/CMakeLists.txt rename to source/source_hsolver/kernels/test/CMakeLists.txt diff --git a/source/module_hsolver/kernels/test/math_dngvd_test.cpp b/source/source_hsolver/kernels/test/math_dngvd_test.cpp similarity index 99% rename from source/module_hsolver/kernels/test/math_dngvd_test.cpp rename to source/source_hsolver/kernels/test/math_dngvd_test.cpp index fb42870db9..6cba4caf53 100644 --- a/source/module_hsolver/kernels/test/math_dngvd_test.cpp +++ b/source/source_hsolver/kernels/test/math_dngvd_test.cpp @@ -1,7 +1,7 @@ #include "module_base/complexmatrix.h" #include "module_base/lapack_connector.h" #include "module_base/module_device/memory_op.h" -#include "module_hsolver/kernels/dngvd_op.h" +#include "source_hsolver/kernels/dngvd_op.h" #include "module_base/kernels/math_kernel_op.h" #include diff --git a/source/module_hsolver/kernels/test/perf_math_kernel.cpp b/source/source_hsolver/kernels/test/perf_math_kernel.cpp similarity index 100% rename from source/module_hsolver/kernels/test/perf_math_kernel.cpp rename to source/source_hsolver/kernels/test/perf_math_kernel.cpp diff --git a/source/module_hsolver/module_pexsi/CMakeLists.txt b/source/source_hsolver/module_pexsi/CMakeLists.txt similarity index 100% rename from source/module_hsolver/module_pexsi/CMakeLists.txt rename to source/source_hsolver/module_pexsi/CMakeLists.txt diff --git a/source/module_hsolver/module_pexsi/dist_bcd_matrix.cpp b/source/source_hsolver/module_pexsi/dist_bcd_matrix.cpp similarity index 100% rename from source/module_hsolver/module_pexsi/dist_bcd_matrix.cpp rename to source/source_hsolver/module_pexsi/dist_bcd_matrix.cpp diff --git a/source/module_hsolver/module_pexsi/dist_bcd_matrix.h b/source/source_hsolver/module_pexsi/dist_bcd_matrix.h similarity index 96% rename from source/module_hsolver/module_pexsi/dist_bcd_matrix.h rename to source/source_hsolver/module_pexsi/dist_bcd_matrix.h index 94b61277d2..c1b5657b67 100644 --- a/source/module_hsolver/module_pexsi/dist_bcd_matrix.h +++ b/source/source_hsolver/module_pexsi/dist_bcd_matrix.h @@ -3,7 +3,7 @@ #include -#include "module_hsolver/module_pexsi/dist_matrix_transformer.h" +#include "source_hsolver/module_pexsi/dist_matrix_transformer.h" // a Block Cyclic Data Distribution matrix // http://www.netlib.org/utk/papers/factor/node3.html // local matrix elements is stored in column major diff --git a/source/module_hsolver/module_pexsi/dist_ccs_matrix.cpp b/source/source_hsolver/module_pexsi/dist_ccs_matrix.cpp similarity index 100% rename from source/module_hsolver/module_pexsi/dist_ccs_matrix.cpp rename to source/source_hsolver/module_pexsi/dist_ccs_matrix.cpp diff --git a/source/module_hsolver/module_pexsi/dist_ccs_matrix.h b/source/source_hsolver/module_pexsi/dist_ccs_matrix.h similarity index 100% rename from source/module_hsolver/module_pexsi/dist_ccs_matrix.h rename to source/source_hsolver/module_pexsi/dist_ccs_matrix.h diff --git a/source/module_hsolver/module_pexsi/dist_matrix_transformer.cpp b/source/source_hsolver/module_pexsi/dist_matrix_transformer.cpp similarity index 100% rename from source/module_hsolver/module_pexsi/dist_matrix_transformer.cpp rename to source/source_hsolver/module_pexsi/dist_matrix_transformer.cpp diff --git a/source/module_hsolver/module_pexsi/dist_matrix_transformer.h b/source/source_hsolver/module_pexsi/dist_matrix_transformer.h similarity index 100% rename from source/module_hsolver/module_pexsi/dist_matrix_transformer.h rename to source/source_hsolver/module_pexsi/dist_matrix_transformer.h diff --git a/source/module_hsolver/module_pexsi/pexsi_solver.cpp b/source/source_hsolver/module_pexsi/pexsi_solver.cpp similarity index 100% rename from source/module_hsolver/module_pexsi/pexsi_solver.cpp rename to source/source_hsolver/module_pexsi/pexsi_solver.cpp diff --git a/source/module_hsolver/module_pexsi/pexsi_solver.h b/source/source_hsolver/module_pexsi/pexsi_solver.h similarity index 100% rename from source/module_hsolver/module_pexsi/pexsi_solver.h rename to source/source_hsolver/module_pexsi/pexsi_solver.h diff --git a/source/module_hsolver/module_pexsi/simple_pexsi.cpp b/source/source_hsolver/module_pexsi/simple_pexsi.cpp similarity index 99% rename from source/module_hsolver/module_pexsi/simple_pexsi.cpp rename to source/source_hsolver/module_pexsi/simple_pexsi.cpp index 2eaf215961..55f5a7b823 100644 --- a/source/module_hsolver/module_pexsi/simple_pexsi.cpp +++ b/source/source_hsolver/module_pexsi/simple_pexsi.cpp @@ -21,7 +21,7 @@ #include "module_base/timer.h" #include "module_base/tool_quit.h" #include "module_base/global_variable.h" -#include "module_hsolver/diago_pexsi.h" +#include "source_hsolver/diago_pexsi.h" namespace pexsi { diff --git a/source/module_hsolver/module_pexsi/simple_pexsi.h b/source/source_hsolver/module_pexsi/simple_pexsi.h similarity index 100% rename from source/module_hsolver/module_pexsi/simple_pexsi.h rename to source/source_hsolver/module_pexsi/simple_pexsi.h diff --git a/source/module_hsolver/my_elpa.h b/source/source_hsolver/my_elpa.h similarity index 100% rename from source/module_hsolver/my_elpa.h rename to source/source_hsolver/my_elpa.h diff --git a/source/module_hsolver/para_linear_transform.cpp b/source/source_hsolver/para_linear_transform.cpp similarity index 100% rename from source/module_hsolver/para_linear_transform.cpp rename to source/source_hsolver/para_linear_transform.cpp diff --git a/source/module_hsolver/para_linear_transform.h b/source/source_hsolver/para_linear_transform.h similarity index 100% rename from source/module_hsolver/para_linear_transform.h rename to source/source_hsolver/para_linear_transform.h diff --git a/source/module_hsolver/parallel_k2d.cpp b/source/source_hsolver/parallel_k2d.cpp similarity index 100% rename from source/module_hsolver/parallel_k2d.cpp rename to source/source_hsolver/parallel_k2d.cpp diff --git a/source/module_hsolver/parallel_k2d.h b/source/source_hsolver/parallel_k2d.h similarity index 100% rename from source/module_hsolver/parallel_k2d.h rename to source/source_hsolver/parallel_k2d.h diff --git a/source/module_hsolver/test/CMakeLists.txt b/source/source_hsolver/test/CMakeLists.txt similarity index 100% rename from source/module_hsolver/test/CMakeLists.txt rename to source/source_hsolver/test/CMakeLists.txt diff --git a/source/module_hsolver/test/GammaOnly-Si2-Solution.dat b/source/source_hsolver/test/GammaOnly-Si2-Solution.dat similarity index 100% rename from source/module_hsolver/test/GammaOnly-Si2-Solution.dat rename to source/source_hsolver/test/GammaOnly-Si2-Solution.dat diff --git a/source/module_hsolver/test/GammaOnly-Si64-Solution.dat b/source/source_hsolver/test/GammaOnly-Si64-Solution.dat similarity index 100% rename from source/module_hsolver/test/GammaOnly-Si64-Solution.dat rename to source/source_hsolver/test/GammaOnly-Si64-Solution.dat diff --git a/source/module_hsolver/test/H-GammaOnly-Si2.dat b/source/source_hsolver/test/H-GammaOnly-Si2.dat similarity index 100% rename from source/module_hsolver/test/H-GammaOnly-Si2.dat rename to source/source_hsolver/test/H-GammaOnly-Si2.dat diff --git a/source/module_hsolver/test/H-GammaOnly-Si64.dat b/source/source_hsolver/test/H-GammaOnly-Si64.dat similarity index 100% rename from source/module_hsolver/test/H-GammaOnly-Si64.dat rename to source/source_hsolver/test/H-GammaOnly-Si64.dat diff --git a/source/module_hsolver/test/H-KPoints-Si2.dat b/source/source_hsolver/test/H-KPoints-Si2.dat similarity index 100% rename from source/module_hsolver/test/H-KPoints-Si2.dat rename to source/source_hsolver/test/H-KPoints-Si2.dat diff --git a/source/module_hsolver/test/H-KPoints-Si64.dat b/source/source_hsolver/test/H-KPoints-Si64.dat similarity index 100% rename from source/module_hsolver/test/H-KPoints-Si64.dat rename to source/source_hsolver/test/H-KPoints-Si64.dat diff --git a/source/module_hsolver/test/KPoints-Si2-Solution.dat b/source/source_hsolver/test/KPoints-Si2-Solution.dat similarity index 100% rename from source/module_hsolver/test/KPoints-Si2-Solution.dat rename to source/source_hsolver/test/KPoints-Si2-Solution.dat diff --git a/source/module_hsolver/test/KPoints-Si64-Solution.dat b/source/source_hsolver/test/KPoints-Si64-Solution.dat similarity index 100% rename from source/module_hsolver/test/KPoints-Si64-Solution.dat rename to source/source_hsolver/test/KPoints-Si64-Solution.dat diff --git a/source/module_hsolver/test/PEXSI-DM-GammaOnly-Si2.dat b/source/source_hsolver/test/PEXSI-DM-GammaOnly-Si2.dat similarity index 100% rename from source/module_hsolver/test/PEXSI-DM-GammaOnly-Si2.dat rename to source/source_hsolver/test/PEXSI-DM-GammaOnly-Si2.dat diff --git a/source/module_hsolver/test/PEXSI-H-GammaOnly-Si2.dat b/source/source_hsolver/test/PEXSI-H-GammaOnly-Si2.dat similarity index 100% rename from source/module_hsolver/test/PEXSI-H-GammaOnly-Si2.dat rename to source/source_hsolver/test/PEXSI-H-GammaOnly-Si2.dat diff --git a/source/module_hsolver/test/PEXSI-S-GammaOnly-Si2.dat b/source/source_hsolver/test/PEXSI-S-GammaOnly-Si2.dat similarity index 100% rename from source/module_hsolver/test/PEXSI-S-GammaOnly-Si2.dat rename to source/source_hsolver/test/PEXSI-S-GammaOnly-Si2.dat diff --git a/source/module_hsolver/test/S-GammaOnly-Si2.dat b/source/source_hsolver/test/S-GammaOnly-Si2.dat similarity index 100% rename from source/module_hsolver/test/S-GammaOnly-Si2.dat rename to source/source_hsolver/test/S-GammaOnly-Si2.dat diff --git a/source/module_hsolver/test/S-GammaOnly-Si64.dat b/source/source_hsolver/test/S-GammaOnly-Si64.dat similarity index 100% rename from source/module_hsolver/test/S-GammaOnly-Si64.dat rename to source/source_hsolver/test/S-GammaOnly-Si64.dat diff --git a/source/module_hsolver/test/S-KPoints-Si2.dat b/source/source_hsolver/test/S-KPoints-Si2.dat similarity index 100% rename from source/module_hsolver/test/S-KPoints-Si2.dat rename to source/source_hsolver/test/S-KPoints-Si2.dat diff --git a/source/module_hsolver/test/S-KPoints-Si64.dat b/source/source_hsolver/test/S-KPoints-Si64.dat similarity index 100% rename from source/module_hsolver/test/S-KPoints-Si64.dat rename to source/source_hsolver/test/S-KPoints-Si64.dat diff --git a/source/module_hsolver/test/diago_bpcg_test.cpp b/source/source_hsolver/test/diago_bpcg_test.cpp similarity index 100% rename from source/module_hsolver/test/diago_bpcg_test.cpp rename to source/source_hsolver/test/diago_bpcg_test.cpp diff --git a/source/module_hsolver/test/diago_cg_float_test.cpp b/source/source_hsolver/test/diago_cg_float_test.cpp similarity index 100% rename from source/module_hsolver/test/diago_cg_float_test.cpp rename to source/source_hsolver/test/diago_cg_float_test.cpp diff --git a/source/module_hsolver/test/diago_cg_parallel_test.sh b/source/source_hsolver/test/diago_cg_parallel_test.sh similarity index 100% rename from source/module_hsolver/test/diago_cg_parallel_test.sh rename to source/source_hsolver/test/diago_cg_parallel_test.sh diff --git a/source/module_hsolver/test/diago_cg_real_test.cpp b/source/source_hsolver/test/diago_cg_real_test.cpp similarity index 100% rename from source/module_hsolver/test/diago_cg_real_test.cpp rename to source/source_hsolver/test/diago_cg_real_test.cpp diff --git a/source/module_hsolver/test/diago_cg_test.cpp b/source/source_hsolver/test/diago_cg_test.cpp similarity index 100% rename from source/module_hsolver/test/diago_cg_test.cpp rename to source/source_hsolver/test/diago_cg_test.cpp diff --git a/source/module_hsolver/test/diago_david_float_test.cpp b/source/source_hsolver/test/diago_david_float_test.cpp similarity index 99% rename from source/module_hsolver/test/diago_david_float_test.cpp rename to source/source_hsolver/test/diago_david_float_test.cpp index 0eb7bec717..7f4bfd1f88 100644 --- a/source/module_hsolver/test/diago_david_float_test.cpp +++ b/source/source_hsolver/test/diago_david_float_test.cpp @@ -1,5 +1,5 @@ -#include"module_hsolver/diago_david.h" -#include"module_hsolver/diago_iter_assist.h" +#include"source_hsolver/diago_david.h" +#include"source_hsolver/diago_iter_assist.h" #include"module_hamilt_pw/hamilt_pwdft/hamilt_pw.h" #include"diago_mock.h" #include "module_psi/psi.h" diff --git a/source/module_hsolver/test/diago_david_parallel_test.sh b/source/source_hsolver/test/diago_david_parallel_test.sh similarity index 100% rename from source/module_hsolver/test/diago_david_parallel_test.sh rename to source/source_hsolver/test/diago_david_parallel_test.sh diff --git a/source/module_hsolver/test/diago_david_real_test.cpp b/source/source_hsolver/test/diago_david_real_test.cpp similarity index 99% rename from source/module_hsolver/test/diago_david_real_test.cpp rename to source/source_hsolver/test/diago_david_real_test.cpp index f4e22a622e..b9109faa78 100644 --- a/source/module_hsolver/test/diago_david_real_test.cpp +++ b/source/source_hsolver/test/diago_david_real_test.cpp @@ -1,5 +1,5 @@ -#include"module_hsolver/diago_david.h" -#include"module_hsolver/diago_iter_assist.h" +#include"source_hsolver/diago_david.h" +#include"source_hsolver/diago_iter_assist.h" #include"module_hamilt_pw/hamilt_pwdft/hamilt_pw.h" #include"diago_mock.h" #include "module_psi/psi.h" diff --git a/source/module_hsolver/test/diago_david_test.cpp b/source/source_hsolver/test/diago_david_test.cpp similarity index 99% rename from source/module_hsolver/test/diago_david_test.cpp rename to source/source_hsolver/test/diago_david_test.cpp index 50f2c4732d..72f4c8ddb3 100644 --- a/source/module_hsolver/test/diago_david_test.cpp +++ b/source/source_hsolver/test/diago_david_test.cpp @@ -1,5 +1,5 @@ -#include"module_hsolver/diago_david.h" -#include"module_hsolver/diago_iter_assist.h" +#include"source_hsolver/diago_david.h" +#include"source_hsolver/diago_iter_assist.h" #include"module_hamilt_pw/hamilt_pwdft/hamilt_pw.h" #include"diago_mock.h" #include "module_psi/psi.h" diff --git a/source/module_hsolver/test/diago_elpa_utils.h b/source/source_hsolver/test/diago_elpa_utils.h similarity index 99% rename from source/module_hsolver/test/diago_elpa_utils.h rename to source/source_hsolver/test/diago_elpa_utils.h index 82aa09c7eb..91160a253f 100644 --- a/source/module_hsolver/test/diago_elpa_utils.h +++ b/source/source_hsolver/test/diago_elpa_utils.h @@ -13,7 +13,7 @@ #include #ifdef __ELPA -#include "module_hsolver/my_elpa.h" +#include "source_hsolver/my_elpa.h" #endif namespace LCAO_DIAGO_TEST diff --git a/source/module_hsolver/test/diago_lapack_test.cpp b/source/source_hsolver/test/diago_lapack_test.cpp similarity index 99% rename from source/module_hsolver/test/diago_lapack_test.cpp rename to source/source_hsolver/test/diago_lapack_test.cpp index cb3eb3f403..01acc2ebbd 100644 --- a/source/module_hsolver/test/diago_lapack_test.cpp +++ b/source/source_hsolver/test/diago_lapack_test.cpp @@ -10,7 +10,7 @@ #include #include -#include "module_hsolver/diago_lapack.h" +#include "source_hsolver/diago_lapack.h" #include "module_base/lapack_connector.h" #define PASSTHRESHOLD 1e-5 diff --git a/source/module_hsolver/test/diago_lcao_cusolver_test.cpp b/source/source_hsolver/test/diago_lcao_cusolver_test.cpp similarity index 98% rename from source/module_hsolver/test/diago_lcao_cusolver_test.cpp rename to source/source_hsolver/test/diago_lcao_cusolver_test.cpp index 40e62c6ecd..2afb462a43 100644 --- a/source/module_hsolver/test/diago_lcao_cusolver_test.cpp +++ b/source/source_hsolver/test/diago_lcao_cusolver_test.cpp @@ -1,5 +1,5 @@ -#include "module_hsolver/diago_scalapack.h" -#include "module_hsolver/test/diago_elpa_utils.h" +#include "source_hsolver/diago_scalapack.h" +#include "source_hsolver/test/diago_elpa_utils.h" #define private public #include "module_parameter/parameter.h" #undef private @@ -9,10 +9,10 @@ #include "gtest/gtest.h" #include #ifdef __ELPA -#include "module_hsolver/diago_elpa.h" +#include "source_hsolver/diago_elpa.h" #endif #ifdef __CUDA -#include "module_hsolver/diago_cusolver.h" +#include "source_hsolver/diago_cusolver.h" #endif #define PASSTHRESHOLD 1e-10 @@ -30,7 +30,7 @@ * - hsolver::DiagoScalapack::diag (for Scalapack) * * The 2d block cyclic distribution of H/S matrix is done by - * self-realized functions in module_hsolver/test/diago_elpa_utils.h + * self-realized functions in source_hsolver/test/diago_elpa_utils.h */ template diff --git a/source/module_hsolver/test/diago_lcao_parallel_test.sh b/source/source_hsolver/test/diago_lcao_parallel_test.sh similarity index 100% rename from source/module_hsolver/test/diago_lcao_parallel_test.sh rename to source/source_hsolver/test/diago_lcao_parallel_test.sh diff --git a/source/module_hsolver/test/diago_lcao_test.cpp b/source/source_hsolver/test/diago_lcao_test.cpp similarity index 98% rename from source/module_hsolver/test/diago_lcao_test.cpp rename to source/source_hsolver/test/diago_lcao_test.cpp index 8feefecfe3..08f8b66086 100644 --- a/source/module_hsolver/test/diago_lcao_test.cpp +++ b/source/source_hsolver/test/diago_lcao_test.cpp @@ -1,5 +1,5 @@ -#include "module_hsolver/diago_scalapack.h" -#include "module_hsolver/test/diago_elpa_utils.h" +#include "source_hsolver/diago_scalapack.h" +#include "source_hsolver/test/diago_elpa_utils.h" #define private public #include "module_parameter/parameter.h" #undef private @@ -9,7 +9,7 @@ #include "gtest/gtest.h" #include #ifdef __ELPA -#include "module_hsolver/diago_elpa.h" +#include "source_hsolver/diago_elpa.h" #endif #define PASSTHRESHOLD 1e-10 @@ -27,7 +27,7 @@ * - hsolver::DiagoScalapack::diag (for Scalapack) * * The 2d block cyclic distribution of H/S matrix is done by - * self-realized functions in module_hsolver/test/diago_elpa_utils.h + * self-realized functions in source_hsolver/test/diago_elpa_utils.h */ template diff --git a/source/module_hsolver/test/diago_mock.h b/source/source_hsolver/test/diago_mock.h similarity index 100% rename from source/module_hsolver/test/diago_mock.h rename to source/source_hsolver/test/diago_mock.h diff --git a/source/module_hsolver/test/diago_pexsi_parallel_test.sh b/source/source_hsolver/test/diago_pexsi_parallel_test.sh similarity index 100% rename from source/module_hsolver/test/diago_pexsi_parallel_test.sh rename to source/source_hsolver/test/diago_pexsi_parallel_test.sh diff --git a/source/module_hsolver/test/diago_pexsi_test.cpp b/source/source_hsolver/test/diago_pexsi_test.cpp similarity index 99% rename from source/module_hsolver/test/diago_pexsi_test.cpp rename to source/source_hsolver/test/diago_pexsi_test.cpp index 3b2ca3cb42..3918fd43ff 100644 --- a/source/module_hsolver/test/diago_pexsi_test.cpp +++ b/source/source_hsolver/test/diago_pexsi_test.cpp @@ -1,5 +1,5 @@ #ifdef __PEXSI -#include "module_hsolver/diago_pexsi.h" +#include "source_hsolver/diago_pexsi.h" #define private public #include "module_parameter/parameter.h" #undef private @@ -7,8 +7,8 @@ #include "module_base/global_variable.h" #include "module_base/parallel_global.h" #include "module_basis/module_ao/parallel_orbitals.h" -#include "module_hsolver/module_pexsi/pexsi_solver.h" -#include "module_hsolver/test/diago_elpa_utils.h" +#include "source_hsolver/module_pexsi/pexsi_solver.h" +#include "source_hsolver/test/diago_elpa_utils.h" #include #include diff --git a/source/module_hsolver/test/hsolver_pw_sup.h b/source/source_hsolver/test/hsolver_pw_sup.h similarity index 98% rename from source/module_hsolver/test/hsolver_pw_sup.h rename to source/source_hsolver/test/hsolver_pw_sup.h index c61ffaca7d..610187921a 100644 --- a/source/module_hsolver/test/hsolver_pw_sup.h +++ b/source/source_hsolver/test/hsolver_pw_sup.h @@ -48,9 +48,9 @@ double& PW_Basis_K::getgk2(const int ik, const int igl) const { } // namespace ModulePW -#include "module_hsolver/diago_cg.h" -#include "module_hsolver/diago_david.h" -#include "module_hsolver/diago_iter_assist.h" +#include "source_hsolver/diago_cg.h" +#include "source_hsolver/diago_david.h" +#include "source_hsolver/diago_iter_assist.h" namespace hsolver { diff --git a/source/module_hsolver/test/hsolver_supplementary_mock.h b/source/source_hsolver/test/hsolver_supplementary_mock.h similarity index 100% rename from source/module_hsolver/test/hsolver_supplementary_mock.h rename to source/source_hsolver/test/hsolver_supplementary_mock.h diff --git a/source/module_hsolver/test/parallel_k2d_test.cpp b/source/source_hsolver/test/parallel_k2d_test.cpp similarity index 99% rename from source/module_hsolver/test/parallel_k2d_test.cpp rename to source/source_hsolver/test/parallel_k2d_test.cpp index bd84e28590..b025f9184f 100644 --- a/source/module_hsolver/test/parallel_k2d_test.cpp +++ b/source/source_hsolver/test/parallel_k2d_test.cpp @@ -1,5 +1,5 @@ #ifdef __MPI -#include "module_hsolver/parallel_k2d.h" +#include "source_hsolver/parallel_k2d.h" #include "module_base/parallel_global.h" diff --git a/source/module_hsolver/test/parallel_k2d_test.sh b/source/source_hsolver/test/parallel_k2d_test.sh similarity index 100% rename from source/module_hsolver/test/parallel_k2d_test.sh rename to source/source_hsolver/test/parallel_k2d_test.sh diff --git a/source/module_hsolver/test/test_diago_assist.cpp b/source/source_hsolver/test/test_diago_assist.cpp similarity index 95% rename from source/module_hsolver/test/test_diago_assist.cpp rename to source/source_hsolver/test/test_diago_assist.cpp index 4b536202cc..26e6abb454 100644 --- a/source/module_hsolver/test/test_diago_assist.cpp +++ b/source/source_hsolver/test/test_diago_assist.cpp @@ -3,7 +3,7 @@ #include #define protected public -#include "module_hsolver/diago_iter_assis.h" +#include "source_hsolver/diago_iter_assis.h" #include "diago_mock.h" class TestDiagoIterAssist : public ::testing::Test diff --git a/source/module_hsolver/test/test_diago_hs_para.cpp b/source/source_hsolver/test/test_diago_hs_para.cpp similarity index 99% rename from source/module_hsolver/test/test_diago_hs_para.cpp rename to source/source_hsolver/test/test_diago_hs_para.cpp index 51efda5e05..425fd3b238 100644 --- a/source/module_hsolver/test/test_diago_hs_para.cpp +++ b/source/source_hsolver/test/test_diago_hs_para.cpp @@ -10,7 +10,7 @@ #include #include "../diag_hs_para.h" -#include "module_hsolver/kernels/dngvd_op.h" +#include "source_hsolver/kernels/dngvd_op.h" template typename std::enable_if::value || std::is_same::value>::type diff --git a/source/module_hsolver/test/test_hsolver.cpp b/source/source_hsolver/test/test_hsolver.cpp similarity index 98% rename from source/module_hsolver/test/test_hsolver.cpp rename to source/source_hsolver/test/test_hsolver.cpp index 8e2d993ecd..e20cb36358 100644 --- a/source/module_hsolver/test/test_hsolver.cpp +++ b/source/source_hsolver/test/test_hsolver.cpp @@ -4,7 +4,7 @@ #define protected public #include "hsolver_supplementary_mock.h" -#include "module_hsolver/hsolver.h" +#include "source_hsolver/hsolver.h" #include diff --git a/source/module_hsolver/test/test_hsolver_pw.cpp b/source/source_hsolver/test/test_hsolver_pw.cpp similarity index 99% rename from source/module_hsolver/test/test_hsolver_pw.cpp rename to source/source_hsolver/test/test_hsolver_pw.cpp index 92be00fcbd..6f4dbbd07c 100644 --- a/source/module_hsolver/test/test_hsolver_pw.cpp +++ b/source/source_hsolver/test/test_hsolver_pw.cpp @@ -5,13 +5,13 @@ #define private public #define protected public #include "module_parameter/parameter.h" -#include "module_hsolver/hsolver_pw.h" -#include "module_hsolver/hsolver_lcaopw.h" +#include "source_hsolver/hsolver_pw.h" +#include "source_hsolver/hsolver_lcaopw.h" #include "hsolver_supplementary_mock.h" #include "hsolver_pw_sup.h" #include "hsolver_supplementary_mock.h" #include "module_base/global_variable.h" -#include "module_hsolver/hsolver_pw.h" +#include "source_hsolver/hsolver_pw.h" #undef private #undef protected diff --git a/source/module_hsolver/test/test_hsolver_sdft.cpp b/source/source_hsolver/test/test_hsolver_sdft.cpp similarity index 99% rename from source/module_hsolver/test/test_hsolver_sdft.cpp rename to source/source_hsolver/test/test_hsolver_sdft.cpp index 83cbb8f361..777e85a50f 100644 --- a/source/module_hsolver/test/test_hsolver_sdft.cpp +++ b/source/source_hsolver/test/test_hsolver_sdft.cpp @@ -10,8 +10,8 @@ #include "hsolver_pw_sup.h" #include "hsolver_supplementary_mock.h" #include "module_base/global_variable.h" -#include "module_hsolver/hsolver_pw.h" -#include "module_hsolver/hsolver_pw_sdft.h" +#include "source_hsolver/hsolver_pw.h" +#include "source_hsolver/hsolver_pw_sdft.h" #include "module_elecstate/elecstate_pw.h" #undef private #undef protected diff --git a/source/module_hsolver/test/test_para_linear_trans.cpp b/source/source_hsolver/test/test_para_linear_trans.cpp similarity index 100% rename from source/module_hsolver/test/test_para_linear_trans.cpp rename to source/source_hsolver/test/test_para_linear_trans.cpp