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998 workflow run results

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Refactor: move GPU deallocating code in david to the (#4794) Container #1961: Commit 87ddee1 pushed by mohanchen
July 25, 2024 12:10 55m 5s develop
develop
July 25, 2024 12:10 55m 5s
fix a memory leak in LR constructor (#4793) Container #1960: Commit d2eb237 pushed by mohanchen
July 25, 2024 11:45 22m 18s develop
develop
July 25, 2024 11:45 22m 18s
Fix: eliminate the implicit type conversion when calculating number o… Container #1959: Commit 3857697 pushed by mohanchen
July 25, 2024 08:21 53m 49s develop
develop
July 25, 2024 08:21 53m 49s
Refactor: refactor set_diagethr, cal_hsolerror, cal_hsolerror f… Container #1958: Commit f8f3f0f pushed by mohanchen
July 25, 2024 04:26 1h 7m 37s develop
develop
July 25, 2024 04:26 1h 7m 37s
update out_dos_lcao of '2' for output PDOS (#4782) Container #1957: Commit 54ab1c8 pushed by mohanchen
July 25, 2024 04:25 1h 7m 34s develop
develop
July 25, 2024 04:25 1h 7m 34s
Fix bugs in deepks_v_delta (#4780) Container #1956: Commit a7a9d6c pushed by mohanchen
July 25, 2024 03:49 51m 6s develop
develop
July 25, 2024 03:49 51m 6s
Keep refactoring DeePKS module (the third one) (#4777) Container #1955: Commit 636a354 pushed by mohanchen
July 24, 2024 13:40 53m 27s develop
develop
July 24, 2024 13:40 53m 27s
polish the docs in Symmetry Class and remove some unused functions (#… Container #1954: Commit 11ef76a pushed by mohanchen
July 24, 2024 13:06 1h 19m 50s develop
develop
July 24, 2024 13:06 1h 19m 50s
Test: add return value for mock in tests to suppress compile warning … Container #1953: Commit 815017e pushed by mohanchen
July 24, 2024 13:04 45m 14s develop
develop
July 24, 2024 13:04 45m 14s
Refactor: remove globalV from hsolver_pw (#4764) Container #1952: Commit a131482 pushed by mohanchen
July 24, 2024 13:01 36m 14s develop
develop
July 24, 2024 13:01 36m 14s
Fix incomplete atom map due to the subtle symmetry_prec (#4752) Container #1951: Commit 541f6b3 pushed by mohanchen
July 24, 2024 03:17 25m 14s develop
develop
July 24, 2024 03:17 25m 14s
Style: add braces to avoid dangling else in module_io/restart.cpp (#4… Container #1950: Commit 7d7c0e7 pushed by mohanchen
July 24, 2024 01:38 29m 48s develop
develop
July 24, 2024 01:38 29m 48s
Reduce the size of LCAO_deepks_torch.cpp (#4773) Container #1949: Commit e00f13d pushed by mohanchen
July 24, 2024 01:37 21m 20s develop
develop
July 24, 2024 01:37 21m 20s
Fix: consider fractional electron number (#4770) Container #1948: Commit 2697322 pushed by mohanchen
July 23, 2024 12:28 29m 13s develop
develop
July 23, 2024 12:28 29m 13s
Remove usage of pdiagh_para (#4767) Container #1947: Commit 80853e3 pushed by mohanchen
July 23, 2024 12:26 29m 36s develop
develop
July 23, 2024 12:26 29m 36s
Refactor david: add docs and standardize the code (#4734) Container #1946: Commit f109e98 pushed by mohanchen
July 23, 2024 12:25 29m 52s develop
develop
July 23, 2024 12:25 29m 52s
Refactor for the DeePKS module (#4762) Container #1945: Commit 59e90d6 pushed by mohanchen
July 23, 2024 12:25 21m 10s develop
develop
July 23, 2024 12:25 21m 10s
Fix: Fix the memory leak cause by kbeta in read_pp.cpp (#4758) Container #1944: Commit 3cc8c4e pushed by mohanchen
July 22, 2024 06:52 21m 29s develop
develop
July 22, 2024 06:52 21m 29s
fix repeat parameter and no fail in CI (#4749) Container #1943: Commit e83645a pushed by mohanchen
July 21, 2024 22:12 36m 29s develop
develop
July 21, 2024 22:12 36m 29s
Remove init_basis_lcao from ESolver_LCAO to LCAO_domain (#4746) Container #1942: Commit d6d9636 pushed by mohanchen
July 21, 2024 12:08 21m 42s develop
develop
July 21, 2024 12:08 21m 42s
remove the std::make_unique use in unittest (#4745) Container #1941: Commit b0872a7 pushed by mohanchen
July 21, 2024 04:30 29m 22s develop
develop
July 21, 2024 04:30 29m 22s
Feature: support k-parallelism diagonalization in lcao basis (#4650) Container #1940: Commit 2b75f73 pushed by mohanchen
July 21, 2024 04:29 21m 10s develop
develop
July 21, 2024 04:29 21m 10s
Refactor: Remove most usage of pdiagh in hsolver_lcao.cpp (#4742) Container #1939: Commit f2e7738 pushed by mohanchen
July 19, 2024 13:09 20m 59s develop
develop
July 19, 2024 13:09 20m 59s
Fix: eliminate compilaton error due to the #define private public m… Container #1938: Commit 8b8761c pushed by mohanchen
July 19, 2024 06:16 28m 14s develop
develop
July 19, 2024 06:16 28m 14s
Fix: DeePKS MD calculation restart by DMK and fixed the lack of DeePK… Container #1937: Commit 96470e5 pushed by mohanchen
July 19, 2024 06:13 21m 50s develop
develop
July 19, 2024 06:13 21m 50s