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Tools: support molden file generation via NAO2GTO (#4937) Mirror to Gitee Repository #145: Commit 111073b pushed by mohanchen
August 9, 2024 19:50 6s develop
develop
August 9, 2024 19:50 6s
Refactor: remove useless values in Hsolverpw (#4875) Mirror to Gitee Repository #144: Commit 15e4c39 pushed by mohanchen
August 4, 2024 07:29 4s develop
develop
August 4, 2024 07:29 4s
Fix: reference to parameter instead of global variable in tool functi… Mirror to Gitee Repository #143: Commit 895c282 pushed by mohanchen
August 3, 2024 13:03 5s develop
develop
August 3, 2024 13:03 5s
discourage part of the use of c-style array in psi initializer (#4866) Mirror to Gitee Repository #142: Commit 53aa387 pushed by mohanchen
August 2, 2024 08:01 4s develop
develop
August 2, 2024 08:01 4s
Feature: enable multi-k calculation for CUDA version of module_gint (… Mirror to Gitee Repository #141: Commit a83a3b6 pushed by mohanchen
August 1, 2024 08:10 5s develop
develop
August 1, 2024 08:10 5s
Refactor: remove pelec frome hsolverpw solve func (#4846) Mirror to Gitee Repository #140: Commit 208a61c pushed by mohanchen
August 1, 2024 04:53 5s develop
develop
August 1, 2024 04:53 5s
Refactor: remove uncessary interfaces in module_io (#4835) Mirror to Gitee Repository #139: Commit 0b97dbd pushed by mohanchen
July 31, 2024 01:33 3s develop
develop
July 31, 2024 01:33 3s
Fix: error with DFTU force&stress with NSPIN=4 (#4825) Mirror to Gitee Repository #138: Commit d8cca53 pushed by mohanchen
July 29, 2024 12:00 4s develop
develop
July 29, 2024 12:00 4s
change ParaV to pv in LCAO ESolver Mirror to Gitee Repository #137: Commit 41db78a pushed by mohanchen
July 28, 2024 09:52 4s develop
develop
July 28, 2024 09:52 4s
update esolver, separate out some functions Mirror to Gitee Repository #136: Commit f6aec2a pushed by mohanchen
July 28, 2024 09:32 2s develop
develop
July 28, 2024 09:32 2s
Fix the incorrect calculation of partial charge for multi-k-points un… Mirror to Gitee Repository #135: Commit 3ef860a pushed by mohanchen
July 28, 2024 06:19 4s develop
develop
July 28, 2024 06:19 4s
update lcao_fun Mirror to Gitee Repository #134: Commit 58df118 pushed by mohanchen
July 28, 2024 05:37 4s develop
develop
July 28, 2024 05:37 4s
separate out functions from tddft Mirror to Gitee Repository #133: Commit 5661f6d pushed by mohanchen
July 28, 2024 04:22 3s develop
develop
July 28, 2024 04:22 3s
separate out functions from esolver_pw Mirror to Gitee Repository #132: Commit 0daa289 pushed by mohanchen
July 28, 2024 04:05 6s develop
develop
July 28, 2024 04:05 6s
Merge branch 'deepmodeling:develop' into develop Mirror to Gitee Repository #131: Commit aed2c8c pushed by mohanchen
July 28, 2024 01:50 5s develop
develop
July 28, 2024 01:50 5s
fix lining issues Mirror to Gitee Repository #130: Commit 12be9d5 pushed by mohanchen
July 28, 2024 01:13 4s esolver
esolver
July 28, 2024 01:13 4s
update esolver Mirror to Gitee Repository #129: Commit 5dc5125 pushed by mohanchen
July 28, 2024 01:02 4s esolver
esolver
July 28, 2024 01:02 4s
fix bug in Makefile.Objects Mirror to Gitee Repository #128: Commit 876e20c pushed by mohanchen
July 27, 2024 13:50 2s esolver
esolver
July 27, 2024 13:50 2s
update esolver functions Mirror to Gitee Repository #127: Commit b012368 pushed by mohanchen
July 27, 2024 13:30 2s esolver
esolver
July 27, 2024 13:30 2s
Merge branch 'develop' into esolver Mirror to Gitee Repository #126: Commit 2e42278 pushed by mohanchen
July 27, 2024 13:10 5s esolver
esolver
July 27, 2024 13:10 5s
Mirror to Gitee Repository Mirror to Gitee Repository #125: by mohanchen
July 27, 2024 13:10 2s
July 27, 2024 13:10 2s
Merge branch 'deepmodeling:develop' into develop Mirror to Gitee Repository #124: Commit fdd8837 pushed by mohanchen
July 27, 2024 13:09 5s develop
develop
July 27, 2024 13:09 5s
Merge branch 'develop' into develop Mirror to Gitee Repository #123: Commit 1aa251a pushed by mohanchen
July 27, 2024 09:31 4s develop
develop
July 27, 2024 09:31 4s
add deepks_hmat.h Mirror to Gitee Repository #122: Commit c7b6d20 pushed by mohanchen
July 26, 2024 13:30 4s develop
develop
July 26, 2024 13:30 4s
Mirror to Gitee Repository Mirror to Gitee Repository #121: by mohanchen
July 26, 2024 13:30 3s
July 26, 2024 13:30 3s