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Tools: support molden file generation via NAO2GTO (#4937)
Build Test #197: Commit 111073b pushed by mohanchen
August 9, 2024 19:50 5m 38s develop
August 9, 2024 19:50 5m 38s
Refactor: remove useless values in Hsolverpw (#4875)
Build Test #196: Commit 15e4c39 pushed by mohanchen
August 4, 2024 07:29 5m 34s develop
August 4, 2024 07:29 5m 34s
Fix: reference to parameter instead of global variable in tool functi…
Build Test #195: Commit 895c282 pushed by mohanchen
August 3, 2024 13:03 5m 47s develop
August 3, 2024 13:03 5m 47s
discourage part of the use of c-style array in psi initializer (#4866)
Build Test #194: Commit 53aa387 pushed by mohanchen
August 2, 2024 08:01 6m 3s develop
August 2, 2024 08:01 6m 3s
Feature: enable multi-k calculation for CUDA version of module_gint (…
Build Test #193: Commit a83a3b6 pushed by mohanchen
August 1, 2024 08:10 6m 14s develop
August 1, 2024 08:10 6m 14s
Refactor: remove pelec frome hsolverpw solve func (#4846)
Build Test #192: Commit 208a61c pushed by mohanchen
August 1, 2024 04:53 5m 40s develop
August 1, 2024 04:53 5m 40s
Refactor: remove uncessary interfaces in module_io (#4835)
Build Test #191: Commit 0b97dbd pushed by mohanchen
July 31, 2024 01:33 5m 35s develop
July 31, 2024 01:33 5m 35s
Fix: error with DFTU force&stress with NSPIN=4 (#4825)
Build Test #190: Commit d8cca53 pushed by mohanchen
July 29, 2024 12:00 5m 52s develop
July 29, 2024 12:00 5m 52s
change ParaV to pv in LCAO ESolver
Build Test #189: Commit 41db78a pushed by mohanchen
July 28, 2024 09:52 5m 38s develop
July 28, 2024 09:52 5m 38s
update esolver, separate out some functions
Build Test #188: Commit f6aec2a pushed by mohanchen
July 28, 2024 09:32 6m 13s develop
July 28, 2024 09:32 6m 13s
July 28, 2024 06:19 5m 35s
update lcao_fun
Build Test #186: Commit 58df118 pushed by mohanchen
July 28, 2024 05:37 5m 41s develop
July 28, 2024 05:37 5m 41s
separate out functions from tddft
Build Test #185: Commit 5661f6d pushed by mohanchen
July 28, 2024 04:22 5m 36s develop
July 28, 2024 04:22 5m 36s
separate out functions from esolver_pw
Build Test #184: Commit 0daa289 pushed by mohanchen
July 28, 2024 04:05 6m 10s develop
July 28, 2024 04:05 6m 10s
Merge branch 'deepmodeling:develop' into develop
Build Test #183: Commit aed2c8c pushed by mohanchen
July 28, 2024 01:50 5m 31s develop
July 28, 2024 01:50 5m 31s
fix lining issues
Build Test #182: Commit 12be9d5 pushed by mohanchen
July 28, 2024 01:13 5m 42s esolver
July 28, 2024 01:13 5m 42s
update esolver
Build Test #181: Commit 5dc5125 pushed by mohanchen
July 28, 2024 01:02 5m 29s esolver
July 28, 2024 01:02 5m 29s
fix bug in Makefile.Objects
Build Test #180: Commit 876e20c pushed by mohanchen
July 27, 2024 13:50 6m 3s esolver
July 27, 2024 13:50 6m 3s
update esolver functions
Build Test #179: Commit b012368 pushed by mohanchen
July 27, 2024 13:30 3m 55s esolver
July 27, 2024 13:30 3m 55s
Merge branch 'develop' into esolver
Build Test #178: Commit 2e42278 pushed by mohanchen
July 27, 2024 13:10 3m 49s esolver
July 27, 2024 13:10 3m 49s
Merge branch 'deepmodeling:develop' into develop
Build Test #177: Commit fdd8837 pushed by mohanchen
July 27, 2024 13:09 5m 28s develop
July 27, 2024 13:09 5m 28s
Merge branch 'develop' into develop
Build Test #176: Commit 1aa251a pushed by mohanchen
July 27, 2024 09:31 5m 43s develop
July 27, 2024 09:31 5m 43s
add deepks_hmat.h
Build Test #175: Commit c7b6d20 pushed by mohanchen
July 26, 2024 13:30 5m 33s develop
July 26, 2024 13:30 5m 33s
July 26, 2024 13:27 5m 29s
Refactor: reorder INPUT parameters (#4797)
Build Test #173: Commit 14c4f42 pushed by mohanchen
July 26, 2024 11:44 6m 7s develop
July 26, 2024 11:44 6m 7s