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devcontainer.yml
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Fix: PR conflicts (#5329) Container #2198: Commit 2af2095 pushed by mohanchen
37m 56s develop
develop
37m 56s
Remove DiagH class in hsolver (#5307) Container #2197: Commit 5a6f494 pushed by mohanchen
1h 12m 20s develop
develop
1h 12m 20s
Refactor: replace sto_hchi by HamiltSdftPW::hPsi (#5298) Container #2196: Commit 7194eb7 pushed by mohanchen
1h 4m 55s develop
develop
1h 4m 55s
Feature: LR-TDDFT for open-shell systems (#5312) Container #2195: Commit 0bac03f pushed by mohanchen
57m 52s develop
develop
57m 52s
Add number of threads output in stdout (#5281) Container #2194: Commit 3203ec6 pushed by mohanchen
49m 32s develop
develop
49m 32s
remove read_rho and make read_cube independent of esolver_type (#5323) Container #2193: Commit efb83c8 pushed by YuLiu98
1h 44m 7s develop
develop
1h 44m 7s
doc: fix typo in kpt.md (#5320) Container #2192: Commit 8a02642 pushed by mohanchen
1h 12m 55s develop
develop
1h 12m 55s
fix nspin=4 error (#5319) Container #2191: Commit 6632c0b pushed by mohanchen
1h 11m 34s develop
develop
1h 11m 34s
Fix: makefile cannot compile without openmp (#5316) Container #2190: Commit 3eac0e2 pushed by mohanchen
1h 10m 25s develop
develop
1h 10m 25s
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