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Refactor: Remove useless variables from read_pp.h. (#4711)
Doxygen Documentation Deployment #228: Commit a7dc5b5 pushed by mohanchen
July 16, 2024 12:48 7m 43s develop
July 16, 2024 12:48 7m 43s
Feature: nspin=2 LR-TDDFT solving singlet/triplet (#4710)
Doxygen Documentation Deployment #227: Commit d53fc81 pushed by mohanchen
July 16, 2024 12:45 2m 19s develop
July 16, 2024 12:45 2m 19s
Refactor: reorganized HSolverPW<T, Device>::solve function in `HSol…
Doxygen Documentation Deployment #226: Commit 234675f pushed by mohanchen
July 16, 2024 12:42 3m 33s develop
July 16, 2024 12:42 3m 33s
Refactor david: remove HamiltPW::sPsi inside DiagoDavid (#4708)
Doxygen Documentation Deployment #225: Commit 7a1faa6 pushed by mohanchen
July 16, 2024 09:19 3m 29s develop
July 16, 2024 09:19 3m 29s
Fix the bug causing incorrect Berry phase calculations under the pw b…
Doxygen Documentation Deployment #224: Commit 7b0ff63 pushed by mohanchen
July 16, 2024 02:33 4m 42s develop
July 16, 2024 02:33 4m 42s
Refactor david: transitionally replace the Psi-type variables basis a…
Doxygen Documentation Deployment #223: Commit 58126a8 pushed by mohanchen
July 15, 2024 13:45 6m 52s develop
July 15, 2024 13:45 6m 52s
Fix: fix a typo related to pexsi in fedm_gamma.cpp (#4702)
Doxygen Documentation Deployment #222: Commit e9ef761 pushed by mohanchen
July 15, 2024 13:31 3m 53s develop
July 15, 2024 13:31 3m 53s
test: to make test fail when execute catch_properties.sh failed (#4700)
Doxygen Documentation Deployment #221: Commit a9db160 pushed by mohanchen
July 15, 2024 12:46 3m 27s develop
July 15, 2024 12:46 3m 27s
fix the missing exx operator for hse-LR (#4696)
Doxygen Documentation Deployment #220: Commit 087932c pushed by mohanchen
July 15, 2024 12:17 3m 30s develop
July 15, 2024 12:17 3m 30s
Refactor: replace most of input varibles by parameter (#4693)
Doxygen Documentation Deployment #219: Commit 5b5d151 pushed by mohanchen
July 14, 2024 13:56 3m 19s develop
July 14, 2024 13:56 3m 19s
Perf: optimize function pow in module_gint (#4680)
Doxygen Documentation Deployment #218: Commit 98f0682 pushed by mohanchen
July 14, 2024 09:04 3m 24s develop
July 14, 2024 09:04 3m 24s
Feature: read a slice of bands from WFC_NAO files & enable custom clo…
Doxygen Documentation Deployment #217: Commit ad08479 pushed by Qianruipku
July 14, 2024 08:39 5m 42s develop
July 14, 2024 08:39 5m 42s
delete redundant setting in STRU (#4689)
Doxygen Documentation Deployment #216: Commit ec34b28 pushed by mohanchen
July 13, 2024 23:04 13m 13s develop
July 13, 2024 23:04 13m 13s
add ccache installation step to cuda.yml (#4688)
Doxygen Documentation Deployment #215: Commit e84e962 pushed by mohanchen
July 13, 2024 23:04 43s develop
July 13, 2024 23:04 43s
Tool: for Gaussian cube file manipulation (#4684)
Doxygen Documentation Deployment #214: Commit a13c22a pushed by mohanchen
July 13, 2024 23:00 3m 28s develop
July 13, 2024 23:00 3m 28s
Test: Unit test for diago_lapack, add a build test and update the doc…
Doxygen Documentation Deployment #213: Commit 079d6c9 pushed by mohanchen
July 13, 2024 22:59 52s develop
July 13, 2024 22:59 52s
Fix: change C++14 codes to C++11 (#4682)
Doxygen Documentation Deployment #212: Commit 8d6749c pushed by mohanchen
July 13, 2024 11:45 3m 47s develop
July 13, 2024 11:45 3m 47s
fix: init exd/exc in begin_all_runners rather than beforescf (#4686)
Doxygen Documentation Deployment #211: Commit 53ee756 pushed by Qianruipku
July 13, 2024 10:46 3m 22s develop
July 13, 2024 10:46 3m 22s
<Doc> correct the formula of Delta rho_R in scf_thr_type. (#4683)
Doxygen Documentation Deployment #210: Commit 4bc03fe pushed by mohanchen
July 13, 2024 08:12 3m 22s develop
July 13, 2024 08:12 3m 22s
Feature : Add deepks_v_delta, which can help to train DeepKS model wi…
Doxygen Documentation Deployment #209: Commit 796c911 pushed by mohanchen
July 12, 2024 23:30 3m 36s develop
July 12, 2024 23:30 3m 36s
Refactor: remove comm_2D from Parallel_2D (Useful Information: BLACS …
Doxygen Documentation Deployment #208: Commit 3deedee pushed by mohanchen
July 12, 2024 23:04 9m 47s develop
July 12, 2024 23:04 9m 47s
remove LM (#4679)
Doxygen Documentation Deployment #207: Commit d5af589 pushed by mohanchen
July 12, 2024 23:03 1m 24s develop
July 12, 2024 23:03 1m 24s
fix LR test logic (#4678)
Doxygen Documentation Deployment #206: Commit fb0fd78 pushed by mohanchen
July 12, 2024 22:53 9m 31s develop
July 12, 2024 22:53 9m 31s
test: add an option to set thread number in Autotest.sh (#4668)
Doxygen Documentation Deployment #205: Commit e4cdf6c pushed by mohanchen
July 12, 2024 22:53 48s develop
July 12, 2024 22:53 48s
Fix a possible compile error in module_lr/lr_spectrum.cpp (#4672)
Doxygen Documentation Deployment #204: Commit af251df pushed by mohanchen
July 12, 2024 22:51 1m 25s develop
July 12, 2024 22:51 1m 25s
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