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751 workflow run results
751 workflow run results

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Refactor: refactor solve func in hsolver-lcao class (#5257) Container #2175: Commit 7938206 pushed by mohanchen
58m 20s develop
develop
58m 20s
Remove DiagH of lcao PEXSI (#5259) Container #2174: Commit 3aec2be pushed by mohanchen
57m 7s develop
develop
57m 7s
Refactor class DensityMatrix: remove the dependence on K_Vectors … Container #2173: Commit 6d4e946 pushed by mohanchen
44m 49s develop
develop
44m 49s
Remove Base class DiagH in LCAO code (#5239) Container #2172: Commit 590ea5e pushed by mohanchen
51m 44s develop
develop
51m 44s
Fix minor bug of EXX operator and default value (#5252) Container #2171: Commit 04def35 pushed by mohanchen
38m 0s develop
develop
38m 0s
Enable PyTorch backend for DeePMD-kit v3 (#5253) Container #2170: Commit 31afd03 pushed by YuLiu98
1h 27m 51s develop
develop
1h 27m 51s
Fix: performance and memory for NSPIN=4 in LCAO base (#5249) Container #2169: Commit 50a204f pushed by mohanchen
2h 14m 39s develop
develop
2h 14m 39s
fix undefined behavior (#5251) Container #2168: Commit fea0620 pushed by mohanchen
2h 16m 25s develop
develop
2h 16m 25s
Feature: update new version of dav_subspace with higher performance (… Container #2167: Commit a5c35d9 pushed by mohanchen
53m 44s develop
develop
53m 44s
revert pre-commit update (#5244) Container #2166: Commit c51bf82 pushed by mohanchen
52m 20s develop
develop
52m 20s
Refactor: Unify the interfaces of Pulay terms of force and stress (#5… Container #2165: Commit 2ddef0c pushed by mohanchen
53m 41s develop
develop
53m 41s
Toolchain fix stage4 (#5233) Container #2164: Commit 7e6eee7 pushed by mohanchen
49m 5s develop
develop
49m 5s
Fix TDDFT ncut and cusolver bug (#5238) Container #2163: Commit 1ea8072 pushed by mohanchen
38m 34s develop
develop
38m 34s
Remove DiagH Base class in pw (#5225) Container #2162: Commit 0f0c838 pushed by mohanchen
2h 9m 56s develop
develop
2h 9m 56s
bug fix (#5223) Container #2161: Commit e9250db pushed by mohanchen
58m 32s develop
develop
58m 32s
CI: add back missing command for codecov (#5222) Container #2160: Commit 8b9b18c pushed by mohanchen
57m 15s develop
develop
57m 15s
Build(deps): Bump pre-commit-ci/lite-action from 1.0.3 to 1.1.0 (#5227) Container #2159: Commit 7148820 pushed by mohanchen
41m 56s develop
develop
41m 56s
Align test commands for coverage tests (#5219) Container #2158: Commit 6b81902 pushed by mohanchen
54m 23s develop
develop
54m 23s
update docs regarding libm (#5218) Container #2157: Commit cda8b24 pushed by mohanchen
53m 0s develop
develop
53m 0s
Fix: md restart can not read STRU (#5215) Container #2156: Commit 49d6afa pushed by mohanchen
38m 24s develop
develop
38m 24s
Change wrapper spsi_func in hsolver-dav (#5205) Container #2155: Commit 5329628 pushed by mohanchen
39m 33s develop
develop
39m 33s
Fix memory bug in XC_Functional_Libxc::cal_gdr() (#5208) Container #2154: Commit e1958cb pushed by mohanchen
37m 59s develop
develop
37m 59s
Feature: Support outputting real space wave functions in Gaussian CUB… Container #2153: Commit c212bdf pushed by mohanchen
52m 34s develop
develop
52m 34s
Fix: Fix the memory leak in integrated test case 919_OF_out_elf (#5211) Container #2152: Commit c234dd3 pushed by mohanchen
53m 46s develop
develop
53m 46s
fix a deadlock bug (#5210) Container #2151: Commit 39df3b9 pushed by mohanchen
38m 20s develop
develop
38m 20s
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