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devcontainer.yml
173 workflow run results
173 workflow run results

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Refactor: refactor the relevant code for psi initializer (#5474) Container #2297: Commit 30c9b28 pushed by Qianruipku
2h 39m 44s develop
develop
2h 39m 44s
Refactor: make get_S a new esolver (#5515) Container #2296: Commit da1baf5 pushed by mohanchen
1h 27m 41s develop
develop
1h 27m 41s
init nonlocal beta orbitals only when necessary (#5511) Container #2295: Commit f68dc9f pushed by mohanchen
1h 32m 48s develop
develop
1h 32m 48s
Fix: fix a bug of relax_nmax default (#5506) Container #2294: Commit 8c9e0da pushed by mohanchen
1h 33m 43s develop
develop
1h 33m 43s
Fix: fix the compilation failure with DFTD3 autoset implementation (#… Container #2293: Commit 78497ca pushed by mohanchen
1h 3m 35s develop
develop
1h 3m 35s
Fix: support lmax of orbital 5, 6, 7 (#5519) Container #2292: Commit 362fee1 pushed by mohanchen
56m 38s develop
develop
56m 38s
add unit test for math_lebedev_laikov (#5513) Container #2291: Commit 7a87079 pushed by mohanchen
6h 14m 9s develop
develop
6h 14m 9s
Refactor: move dftu_cal_occup_m to dftu (#5512) Container #2290: Commit 4a69545 pushed by mohanchen
6h 13m 3s develop
develop
6h 13m 3s
Refactor:Add cuda support for fft_bundle (#5508) Container #2289: Commit 593c30d pushed by mohanchen
6h 13m 43s develop
develop
6h 13m 43s
v3.8.3 (#5500) Container #2288: Commit 4116e55 pushed by WHUweiqingzhou
6h 24m 53s v3.8.3
v3.8.3
6h 24m 53s
v3.8.3 (#5500) Container #2287: Commit 4116e55 pushed by WHUweiqingzhou
58m 3s develop
develop
58m 3s
provide more information on distribution error (#5509) Container #2286: Commit 48788b8 pushed by mohanchen
36m 52s develop
develop
36m 52s
Refactor: replace pvpr with hcontainer (#5490) Container #2285: Commit 6ec2919 pushed by mohanchen
51m 45s develop
develop
51m 45s
Tests: supplementing some tests with OPENMP check directives (#5504) Container #2284: Commit 376f28e pushed by mohanchen
36m 59s develop
develop
36m 59s
Feature: Ground state projection tool for RT-TDDFT (#5477) Container #2283: Commit 5816785 pushed by mohanchen
4h 38m 5s develop
develop
4h 38m 5s
Feature: (minor) support various boolean expressions for outputting f… Container #2282: Commit 4087ffd pushed by mohanchen
4h 38m 12s develop
develop
4h 38m 12s
Fix: nscf for hse (#5499) Container #2281: Commit c440291 pushed by mohanchen
4h 37m 31s develop
develop
4h 37m 31s
Update esolver_ks_pw.cpp (#5498) Container #2280: Commit f381836 pushed by mohanchen
4h 53m 44s develop
develop
4h 53m 44s
Fix GPU memory recorder's memory leak (#5491) Container #2279: Commit 6bff8e3 pushed by WHUweiqingzhou
6h 20m 17s v3.8.3
v3.8.3
6h 20m 17s
Fix GPU memory recorder's memory leak (#5491) Container #2278: Commit 6bff8e3 pushed by mohanchen
43m 19s develop
develop
43m 19s
Feature: make force and stress of sDFT support GPU (#5487) Container #2277: Commit f2e91bd pushed by mohanchen
44m 46s develop
develop
44m 46s
Update esolver_ks_lcao_tddft.h (#5496) Container #2276: Commit 5b1777c pushed by mohanchen
37m 39s develop
develop
37m 39s
Update esolver_ks_lcao.cpp (#5494) Container #2275: Commit d80b5af pushed by YuLiu98
52m 37s develop
develop
52m 37s
Update esolver_ks.h (#5495) Container #2274: Commit 722e922 pushed by YuLiu98
37m 25s develop
develop
37m 25s
Refactor: remove lcao_fun.cpp (#5481) Container #2273: Commit b0503e4 pushed by mohanchen
3h 0m 36s develop
develop
3h 0m 36s