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Feature: support nupdown = 0.0 calculation (#4425) Container #1773: Commit d0fb8d3 pushed by WHUweiqingzhou
June 19, 2024 07:01 1h 35m 2s develop
develop
June 19, 2024 07:01 1h 35m 2s
CI: fix precommit failure (#4426) Container #1772: Commit 44315da pushed by WHUweiqingzhou
June 19, 2024 06:58 1h 36m 13s develop
develop
June 19, 2024 06:58 1h 36m 13s
Fix: no inversion symmetry, reset symmetry of SOC calculation to -1 (… Container #1771: Commit 78f2a6b pushed by mohanchen
June 18, 2024 15:46 54m 38s develop
develop
June 18, 2024 15:46 54m 38s
Feature: add commandline option --check-input to check input only (#4… Container #1770: Commit 886ce1f pushed by mohanchen
June 18, 2024 09:15 2h 15m 26s develop
develop
June 18, 2024 09:15 2h 15m 26s
feature: add the output of energy for all esolver types in abacus.jso… Container #1769: Commit 0da307e pushed by mohanchen
June 18, 2024 09:12 1h 42m 50s develop
develop
June 18, 2024 09:12 1h 42m 50s
Refactor: replace pointer to Diago classes with object (#4409) Container #1768: Commit 2df0dc2 pushed by mohanchen
June 18, 2024 09:05 1h 47m 33s develop
develop
June 18, 2024 09:05 1h 47m 33s
refactor: output sparse DMR by Output_HContainer instead of output_dm… Container #1767: Commit 1e720b7 pushed by mohanchen
June 18, 2024 08:50 1h 19m 43s develop
develop
June 18, 2024 08:50 1h 19m 43s
Refactor: delete some variables of LCAO_Matrix (#4415) Container #1766: Commit 58156b4 pushed by mohanchen
June 18, 2024 08:46 1h 22m 4s develop
develop
June 18, 2024 08:46 1h 22m 4s
Refactor: 1. change "enum calculation_type" to "enum class calculatio… Container #1765: Commit 50fac93 pushed by mohanchen
June 18, 2024 08:45 1h 21m 13s develop
develop
June 18, 2024 08:45 1h 21m 13s
Use Vector to replace new and delete in gint，spilt gint_tools and cha… Container #1764: Commit 0ac6c02 pushed by mohanchen
June 18, 2024 08:37 1h 27m 11s develop
develop
June 18, 2024 08:37 1h 27m 11s
docs: correct the typo in input-main.md (#4423) Container #1763: Commit 1587794 pushed by caic99
June 18, 2024 07:29 1h 26m 53s develop
develop
June 18, 2024 07:29 1h 26m 53s
remove psi::Psi<T, Device> from Diago_DavSubspace (#4416) Container #1762: Commit ec891a1 pushed by mohanchen
June 17, 2024 23:03 1h 53m 24s develop
develop
June 17, 2024 23:03 1h 53m 24s
Refactor: move snap_psibeta_half_tddft to module_tddft (#4414) Container #1761: Commit 9217fc1 pushed by mohanchen
June 17, 2024 22:40 34m 1s develop
develop
June 17, 2024 22:40 34m 1s
remove useless function from wavefunc (#4408) Container #1760: Commit 89a8fa3 pushed by mohanchen
June 17, 2024 08:35 2h 3m 18s develop
develop
June 17, 2024 08:35 2h 3m 18s
Adding comments and modifying properties in the PW module (#4405) Container #1759: Commit c0ce586 pushed by mohanchen
June 17, 2024 08:34 2h 2m 18s develop
develop
June 17, 2024 08:34 2h 2m 18s
Refactor: extracted transpose parameter checking routine of gemm/v (#… Container #1758: Commit 91b3d87 pushed by mohanchen
June 17, 2024 08:22 1h 31m 8s develop
develop
June 17, 2024 08:22 1h 31m 8s
Refactor: Mulliken output codes with more flexible io interfaces (#4359) Container #1757: Commit bc62cd2 pushed by mohanchen
June 17, 2024 08:15 1h 36m 11s develop
develop
June 17, 2024 08:15 1h 36m 11s
Perf: reduce data transmission in the GPU code of module_gint (#4356) Container #1756: Commit bc97512 pushed by mohanchen
June 17, 2024 02:29 49m 19s develop
develop
June 17, 2024 02:29 49m 19s
Refactor: Initial removal of Hamilt from diag_once func in Davsubspac… Container #1755: Commit 82686dc pushed by mohanchen
June 17, 2024 02:26 49m 45s develop
develop
June 17, 2024 02:26 49m 45s
delete 31 double arrays in LCAO_matrix, add a new class named force_s… Container #1754: Commit d57cde7 pushed by mohanchen
June 17, 2024 02:25 33m 47s develop
develop
June 17, 2024 02:25 33m 47s
Add several warning quits in DensityMatrix and Gint when paramete… Container #1753: Commit 5413d23 pushed by mohanchen
June 16, 2024 08:17 2h 18m 17s develop
develop
June 16, 2024 08:17 2h 18m 17s
Update LCAO_matrix and related functions and delete LCAO_gen_fixedH (… Container #1752: Commit 3ed543d pushed by mohanchen
June 16, 2024 08:01 2h 32m 29s develop
develop
June 16, 2024 08:01 2h 32m 29s
Test: accelerate integrate tests (#4358) Container #1751: Commit f16c4a7 pushed by mohanchen
June 15, 2024 02:36 49m 58s develop
develop
June 15, 2024 02:36 49m 58s
Refactor: remove unused class Output_Interface (#4394) Container #1750: Commit 834ebc0 pushed by mohanchen
June 15, 2024 02:27 57m 11s develop
develop
June 15, 2024 02:27 57m 11s
Refactor istate_charge.cpp using new DensityMatrix class (#4392) Container #1749: Commit 886d69c pushed by mohanchen
June 15, 2024 02:24 57m 47s develop
develop
June 15, 2024 02:24 57m 47s
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