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Refactor XC_Functional_Libxc::convert_vtxc_v() (#5212) Mirror to Gitee Repository #674: Commit 39c29d3 pushed by mohanchen
13m 16s develop
develop
13m 16s
set two_fermi to false for nspin == 1 and add extra checks (#5305) Mirror to Gitee Repository #673: Commit 5ccb292 pushed by mohanchen
5m 28s develop
develop
5m 28s
remove nspin dependence form Gint (#5304) Mirror to Gitee Repository #672: Commit 7fdb1a3 pushed by mohanchen
9m 55s develop
develop
9m 55s
Fix a segfault in rhog_symmetry (#5303) Mirror to Gitee Repository #671: Commit f636d74 pushed by mohanchen
2m 19s develop
develop
2m 19s
Sorting out the calculation logic of pexsi in hsolver-lcao (#5299) Mirror to Gitee Repository #670: Commit 255e104 pushed by mohanchen
3m 46s develop
develop
3m 46s
Becke's partition for multi-center grid integration (#5292) Mirror to Gitee Repository #669: Commit 7cb7664 pushed by mohanchen
32s develop
develop
32s
Modify the berry phase document. (#5293) Mirror to Gitee Repository #668: Commit 1a11dac pushed by mohanchen
32s develop
develop
32s
Refactor: Use memory_op to set diag_const_nums (#5246) Mirror to Gitee Repository #667: Commit 545d2ec pushed by mohanchen
12m 30s develop
develop
12m 30s
Doc&Test: update the documentation about pseudopotential and orbitals… Mirror to Gitee Repository #666: Commit 08ea40c pushed by mohanchen
1m 8s develop
develop
1m 8s
fix some incorrect INPUT files (#5284) Mirror to Gitee Repository #665: Commit 44076aa pushed by mohanchen
6m 12s develop
develop
6m 12s
Refactor: Seperate BLAS functions' declaration and implementation, an… Mirror to Gitee Repository #664: Commit 60c1f77 pushed by mohanchen
22m 23s develop
develop
22m 23s
remove unnecessary gpu memory allocation under LCAO basis (#5258) Mirror to Gitee Repository #663: Commit cfffc78 pushed by mohanchen
1m 4s develop
develop
1m 4s
Refactor: refactor solve func in hsolver-lcao class (#5257) Mirror to Gitee Repository #662: Commit 7938206 pushed by mohanchen
1m 7s develop
develop
1m 7s
Remove DiagH of lcao PEXSI (#5259) Mirror to Gitee Repository #661: Commit 3aec2be pushed by mohanchen
6m 8s develop
develop
6m 8s
Refactor class DensityMatrix: remove the dependence on K_Vectors … Mirror to Gitee Repository #660: Commit 6d4e946 pushed by mohanchen
45m 24s develop
develop
45m 24s
Remove Base class DiagH in LCAO code (#5239) Mirror to Gitee Repository #659: Commit 590ea5e pushed by mohanchen
8m 48s develop
develop
8m 48s
Fix minor bug of EXX operator and default value (#5252) Mirror to Gitee Repository #658: Commit 04def35 pushed by mohanchen
20m 39s develop
develop
20m 39s
Enable PyTorch backend for DeePMD-kit v3 (#5253) Mirror to Gitee Repository #657: Commit 31afd03 pushed by YuLiu98
7m 15s develop
develop
7m 15s
Fix: performance and memory for NSPIN=4 in LCAO base (#5249) Mirror to Gitee Repository #656: Commit 50a204f pushed by mohanchen
2m 6s develop
develop
2m 6s
fix undefined behavior (#5251) Mirror to Gitee Repository #655: Commit fea0620 pushed by mohanchen
31s develop
develop
31s
Feature: update new version of dav_subspace with higher performance (… Mirror to Gitee Repository #654: Commit a5c35d9 pushed by mohanchen
7m 57s develop
develop
7m 57s
revert pre-commit update (#5244) Mirror to Gitee Repository #653: Commit c51bf82 pushed by mohanchen
2m 21s develop
develop
2m 21s
Refactor: Unify the interfaces of Pulay terms of force and stress (#5… Mirror to Gitee Repository #652: Commit 2ddef0c pushed by mohanchen
35s develop
develop
35s
Toolchain fix stage4 (#5233) Mirror to Gitee Repository #651: Commit 7e6eee7 pushed by mohanchen
31s develop
develop
31s
Fix TDDFT ncut and cusolver bug (#5238) Mirror to Gitee Repository #650: Commit 1ea8072 pushed by mohanchen
37s develop
develop
37s
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