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237 workflow run results
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Refactor: remove init_after_vc (#5547) Doxygen Documentation Deployment #608: Commit a6d0ba1 pushed by mohanchen
3m 44s develop
develop
3m 44s
Test: correct the INPUT of examples/scf/lcao_Cu and the reference of … Doxygen Documentation Deployment #607: Commit c650aa8 pushed by mohanchen
13m 14s develop
develop
13m 14s
Refactor atom_input and unify the fake atom data structure of grid an… Doxygen Documentation Deployment #606: Commit fdb405a pushed by mohanchen
52s develop
develop
52s
Test: delete threshold files in the examples with warnings and upda… Doxygen Documentation Deployment #605: Commit 68220cf pushed by mohanchen
2m 56s develop
develop
2m 56s
Feature: LR-TDDFT support reading fxc from file or calculating fxc by… Doxygen Documentation Deployment #604: Commit 368495d pushed by mohanchen
2m 46s develop
develop
2m 46s
fix bug: change Mixing_Data::length from int to size_t (#5545) Doxygen Documentation Deployment #603: Commit 7dcc282 pushed by mohanchen
2m 35s develop
develop
2m 35s
Refactor: replace raw pointers to vector in atom_spec.h (#5521) Doxygen Documentation Deployment #602: Commit c7e46be pushed by mohanchen
5m 57s develop
develop
5m 57s
Fix: recover the use of -1 value of out_chg (#5540) Doxygen Documentation Deployment #601: Commit 20b2214 pushed by mohanchen
5m 56s develop
develop
5m 56s
Fix: support lmax of orbital 8,9 (#5528) Doxygen Documentation Deployment #600: Commit 0ecfbc4 pushed by mohanchen
12m 3s develop
develop
12m 3s
Refactor: refactor psi init & wfinit class (#5533) Doxygen Documentation Deployment #599: Commit 2649152 pushed by mohanchen
12m 34s develop
develop
12m 34s
Refactor: merge before_all_runners of tddft and lcao (#5531) Doxygen Documentation Deployment #598: Commit 8b98a20 pushed by mohanchen
5m 16s develop
develop
5m 16s
Fix: set zero for unused psi data for nspin4 (#5524) Doxygen Documentation Deployment #597: Commit 8040017 pushed by mohanchen
2h 1m 44s develop
develop
2h 1m 44s
Fix: fix the stoi failure for output flag out_chg (#5526) Doxygen Documentation Deployment #596: Commit 7ef0528 pushed by mohanchen
59s develop
develop
59s
Update gint.h (#5525) Doxygen Documentation Deployment #595: Commit f041019 pushed by mohanchen
54s develop
develop
54s
Refactor: refactor the relevant code for psi initializer (#5474) Doxygen Documentation Deployment #594: Commit 30c9b28 pushed by Qianruipku
19m 50s develop
develop
19m 50s
Refactor: make get_S a new esolver (#5515) Doxygen Documentation Deployment #593: Commit da1baf5 pushed by mohanchen
57m 12s develop
develop
57m 12s
init nonlocal beta orbitals only when necessary (#5511) Doxygen Documentation Deployment #592: Commit f68dc9f pushed by mohanchen
6m 53s develop
develop
6m 53s
Fix: fix a bug of relax_nmax default (#5506) Doxygen Documentation Deployment #591: Commit 8c9e0da pushed by mohanchen
2m 42s develop
develop
2m 42s
Fix: fix the compilation failure with DFTD3 autoset implementation (#… Doxygen Documentation Deployment #590: Commit 78497ca pushed by mohanchen
7m 8s develop
develop
7m 8s
Fix: support lmax of orbital 5, 6, 7 (#5519) Doxygen Documentation Deployment #589: Commit 362fee1 pushed by mohanchen
9m 4s develop
develop
9m 4s
add unit test for math_lebedev_laikov (#5513) Doxygen Documentation Deployment #588: Commit 7a87079 pushed by mohanchen
13m 38s develop
develop
13m 38s
Refactor: move dftu_cal_occup_m to dftu (#5512) Doxygen Documentation Deployment #587: Commit 4a69545 pushed by mohanchen
43s develop
develop
43s
Refactor:Add cuda support for fft_bundle (#5508) Doxygen Documentation Deployment #586: Commit 593c30d pushed by mohanchen
2m 29s develop
develop
2m 29s
v3.8.3 (#5500) Doxygen Documentation Deployment #585: Commit 4116e55 pushed by WHUweiqingzhou
16m 50s develop
develop
16m 50s
provide more information on distribution error (#5509) Doxygen Documentation Deployment #584: Commit 48788b8 pushed by mohanchen
3m 44s develop
develop
3m 44s