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168 workflow run results
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Refactor: make get_S a new esolver (#5515) Doxygen Documentation Deployment #593: Commit da1baf5 pushed by mohanchen
57m 12s develop
develop
57m 12s
init nonlocal beta orbitals only when necessary (#5511) Doxygen Documentation Deployment #592: Commit f68dc9f pushed by mohanchen
6m 53s develop
develop
6m 53s
Fix: fix a bug of relax_nmax default (#5506) Doxygen Documentation Deployment #591: Commit 8c9e0da pushed by mohanchen
2m 42s develop
develop
2m 42s
Fix: fix the compilation failure with DFTD3 autoset implementation (#… Doxygen Documentation Deployment #590: Commit 78497ca pushed by mohanchen
7m 8s develop
develop
7m 8s
Fix: support lmax of orbital 5, 6, 7 (#5519) Doxygen Documentation Deployment #589: Commit 362fee1 pushed by mohanchen
9m 4s develop
develop
9m 4s
add unit test for math_lebedev_laikov (#5513) Doxygen Documentation Deployment #588: Commit 7a87079 pushed by mohanchen
13m 38s develop
develop
13m 38s
Refactor: move dftu_cal_occup_m to dftu (#5512) Doxygen Documentation Deployment #587: Commit 4a69545 pushed by mohanchen
43s develop
develop
43s
Refactor:Add cuda support for fft_bundle (#5508) Doxygen Documentation Deployment #586: Commit 593c30d pushed by mohanchen
2m 29s develop
develop
2m 29s
v3.8.3 (#5500) Doxygen Documentation Deployment #585: Commit 4116e55 pushed by WHUweiqingzhou
16m 50s develop
develop
16m 50s
provide more information on distribution error (#5509) Doxygen Documentation Deployment #584: Commit 48788b8 pushed by mohanchen
3m 44s develop
develop
3m 44s
Refactor: replace pvpr with hcontainer (#5490) Doxygen Documentation Deployment #583: Commit 6ec2919 pushed by mohanchen
7m 23s develop
develop
7m 23s
Tests: supplementing some tests with OPENMP check directives (#5504) Doxygen Documentation Deployment #582: Commit 376f28e pushed by mohanchen
1m 28s develop
develop
1m 28s
Feature: Ground state projection tool for RT-TDDFT (#5477) Doxygen Documentation Deployment #581: Commit 5816785 pushed by mohanchen
8m 56s develop
develop
8m 56s
Feature: (minor) support various boolean expressions for outputting f… Doxygen Documentation Deployment #580: Commit 4087ffd pushed by mohanchen
1m 54s develop
develop
1m 54s
Fix: nscf for hse (#5499) Doxygen Documentation Deployment #579: Commit c440291 pushed by mohanchen
1m 21s develop
develop
1m 21s
Update esolver_ks_pw.cpp (#5498) Doxygen Documentation Deployment #578: Commit f381836 pushed by mohanchen
3m 55s develop
develop
3m 55s
Fix GPU memory recorder's memory leak (#5491) Doxygen Documentation Deployment #577: Commit 6bff8e3 pushed by mohanchen
11m 55s develop
develop
11m 55s
Feature: make force and stress of sDFT support GPU (#5487) Doxygen Documentation Deployment #576: Commit f2e91bd pushed by mohanchen
3m 12s develop
develop
3m 12s
Update esolver_ks_lcao_tddft.h (#5496) Doxygen Documentation Deployment #575: Commit 5b1777c pushed by mohanchen
3m 41s develop
develop
3m 41s
Update esolver_ks_lcao.cpp (#5494) Doxygen Documentation Deployment #574: Commit d80b5af pushed by YuLiu98
8m 17s develop
develop
8m 17s
Update esolver_ks.h (#5495) Doxygen Documentation Deployment #573: Commit 722e922 pushed by YuLiu98
1m 11s develop
develop
1m 11s
Refactor: remove lcao_fun.cpp (#5481) Doxygen Documentation Deployment #572: Commit b0503e4 pushed by mohanchen
3m 53s develop
develop
3m 53s
Additional explanations to the example files and fixing result.ref fi… Doxygen Documentation Deployment #571: Commit d3aa439 pushed by mohanchen
9m 11s develop
develop
9m 11s
Refactor: move cal_edm_tddft to module_dm (#5485) Doxygen Documentation Deployment #570: Commit a95eb5b pushed by mohanchen
11m 28s develop
develop
11m 28s
Fix: compile cuda without openmp (#5488) Doxygen Documentation Deployment #569: Commit 8e8cad2 pushed by mohanchen
1m 8s develop
develop
1m 8s