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338 workflow run results
338 workflow run results

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Refactor XC_Functional_Libxc::convert_vtxc_v() (#5212) Doxygen Documentation Deployment #488: Commit 39c29d3 pushed by mohanchen
15m 22s develop
develop
15m 22s
set two_fermi to false for nspin == 1 and add extra checks (#5305) Doxygen Documentation Deployment #487: Commit 5ccb292 pushed by mohanchen
5m 29s develop
develop
5m 29s
remove nspin dependence form Gint (#5304) Doxygen Documentation Deployment #486: Commit 7fdb1a3 pushed by mohanchen
44s develop
develop
44s
Fix a segfault in rhog_symmetry (#5303) Doxygen Documentation Deployment #485: Commit f636d74 pushed by mohanchen
2m 20s develop
develop
2m 20s
Sorting out the calculation logic of pexsi in hsolver-lcao (#5299) Doxygen Documentation Deployment #484: Commit 255e104 pushed by mohanchen
1m 6s develop
develop
1m 6s
Becke's partition for multi-center grid integration (#5292) Doxygen Documentation Deployment #483: Commit 7cb7664 pushed by mohanchen
1m 31s develop
develop
1m 31s
Modify the berry phase document. (#5293) Doxygen Documentation Deployment #482: Commit 1a11dac pushed by mohanchen
3m 29s develop
develop
3m 29s
Refactor: Use memory_op to set diag_const_nums (#5246) Doxygen Documentation Deployment #481: Commit 545d2ec pushed by mohanchen
15m 35s develop
develop
15m 35s
Doc&Test: update the documentation about pseudopotential and orbitals… Doxygen Documentation Deployment #480: Commit 08ea40c pushed by mohanchen
1m 10s develop
develop
1m 10s
fix some incorrect INPUT files (#5284) Doxygen Documentation Deployment #479: Commit 44076aa pushed by mohanchen
2m 19s develop
develop
2m 19s
Refactor: Seperate BLAS functions' declaration and implementation, an… Doxygen Documentation Deployment #478: Commit 60c1f77 pushed by mohanchen
20m 42s develop
develop
20m 42s
remove unnecessary gpu memory allocation under LCAO basis (#5258) Doxygen Documentation Deployment #477: Commit cfffc78 pushed by mohanchen
1m 5s develop
develop
1m 5s
Refactor: refactor solve func in hsolver-lcao class (#5257) Doxygen Documentation Deployment #476: Commit 7938206 pushed by mohanchen
1m 7s develop
develop
1m 7s
Remove DiagH of lcao PEXSI (#5259) Doxygen Documentation Deployment #475: Commit 3aec2be pushed by mohanchen
43s develop
develop
43s
Refactor class DensityMatrix: remove the dependence on K_Vectors … Doxygen Documentation Deployment #474: Commit 6d4e946 pushed by mohanchen
33m 17s develop
develop
33m 17s
Remove Base class DiagH in LCAO code (#5239) Doxygen Documentation Deployment #473: Commit 590ea5e pushed by mohanchen
8m 49s develop
develop
8m 49s
Fix minor bug of EXX operator and default value (#5252) Doxygen Documentation Deployment #472: Commit 04def35 pushed by mohanchen
2m 21s develop
develop
2m 21s
Enable PyTorch backend for DeePMD-kit v3 (#5253) Doxygen Documentation Deployment #471: Commit 31afd03 pushed by YuLiu98
10m 24s develop
develop
10m 24s
Fix: performance and memory for NSPIN=4 in LCAO base (#5249) Doxygen Documentation Deployment #470: Commit 50a204f pushed by mohanchen
5m 10s develop
develop
5m 10s
fix undefined behavior (#5251) Doxygen Documentation Deployment #469: Commit fea0620 pushed by mohanchen
3m 35s develop
develop
3m 35s
Feature: update new version of dav_subspace with higher performance (… Doxygen Documentation Deployment #468: Commit a5c35d9 pushed by mohanchen
10m 40s develop
develop
10m 40s
revert pre-commit update (#5244) Doxygen Documentation Deployment #467: Commit c51bf82 pushed by mohanchen
30s develop
develop
30s
Refactor: Unify the interfaces of Pulay terms of force and stress (#5… Doxygen Documentation Deployment #466: Commit 2ddef0c pushed by mohanchen
3m 19s develop
develop
3m 19s
Toolchain fix stage4 (#5233) Doxygen Documentation Deployment #465: Commit 7e6eee7 pushed by mohanchen
3m 30s develop
develop
3m 30s
Fix TDDFT ncut and cusolver bug (#5238) Doxygen Documentation Deployment #464: Commit 1ea8072 pushed by mohanchen
3m 33s develop
develop
3m 33s
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