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Update version.h (#5314) Container #2189: Commit 146a509 pushed by kirk0830
6h 0m 59s v3.8.1
v3.8.1
6h 0m 59s
Update version.h (#5314) Container #2188: Commit 146a509 pushed by WHUweiqingzhou
37m 44s develop
develop
37m 44s
Refactor XC_Functional_Libxc::convert_vtxc_v() (#5212) Container #2187: Commit 39c29d3 pushed by mohanchen
1h 23m 0s develop
develop
1h 23m 0s
set two_fermi to false for nspin == 1 and add extra checks (#5305) Container #2186: Commit 5ccb292 pushed by mohanchen
1h 26m 34s develop
develop
1h 26m 34s
remove nspin dependence form Gint (#5304) Container #2185: Commit 7fdb1a3 pushed by mohanchen
1h 25m 24s develop
develop
1h 25m 24s
Fix a segfault in rhog_symmetry (#5303) Container #2184: Commit f636d74 pushed by mohanchen
1h 25m 49s develop
develop
1h 25m 49s
Sorting out the calculation logic of pexsi in hsolver-lcao (#5299) Container #2183: Commit 255e104 pushed by mohanchen
1h 25m 0s develop
develop
1h 25m 0s
Becke's partition for multi-center grid integration (#5292) Container #2182: Commit 7cb7664 pushed by mohanchen
1h 24m 23s develop
develop
1h 24m 23s
Modify the berry phase document. (#5293) Container #2181: Commit 1a11dac pushed by mohanchen
47m 53s develop
develop
47m 53s
Refactor: Use memory_op to set diag_const_nums (#5246) Container #2180: Commit 545d2ec pushed by mohanchen
1h 3m 1s develop
develop
1h 3m 1s
Doc&Test: update the documentation about pseudopotential and orbitals… Container #2179: Commit 08ea40c pushed by mohanchen
1h 1m 54s develop
develop
1h 1m 54s
fix some incorrect INPUT files (#5284) Container #2178: Commit 44076aa pushed by mohanchen
38m 47s develop
develop
38m 47s
Refactor: Seperate BLAS functions' declaration and implementation, an… Container #2177: Commit 60c1f77 pushed by mohanchen
59m 58s develop
develop
59m 58s
remove unnecessary gpu memory allocation under LCAO basis (#5258) Container #2176: Commit cfffc78 pushed by mohanchen
59m 8s develop
develop
59m 8s
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