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devcontainer.yml
286 workflow run results
286 workflow run results

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Refactor atom_input and unify the fake atom data structure of grid an… Container #2309: Commit fdb405a pushed by mohanchen
48m 12s develop
develop
48m 12s
Test: delete threshold files in the examples with warnings and upda… Container #2308: Commit 68220cf pushed by mohanchen
49m 30s develop
develop
49m 30s
Feature: LR-TDDFT support reading fxc from file or calculating fxc by… Container #2307: Commit 368495d pushed by mohanchen
50m 39s develop
develop
50m 39s
fix bug: change Mixing_Data::length from int to size_t (#5545) Container #2306: Commit 7dcc282 pushed by mohanchen
36m 56s develop
develop
36m 56s
Refactor: replace raw pointers to vector in atom_spec.h (#5521) Container #2305: Commit c7e46be pushed by mohanchen
1h 10m 1s develop
develop
1h 10m 1s
Fix: recover the use of -1 value of out_chg (#5540) Container #2304: Commit 20b2214 pushed by mohanchen
1h 13m 58s develop
develop
1h 13m 58s
Fix: support lmax of orbital 8,9 (#5528) Container #2303: Commit 0ecfbc4 pushed by mohanchen
36m 59s develop
develop
36m 59s
Refactor: refactor psi init & wfinit class (#5533) Container #2302: Commit 2649152 pushed by mohanchen
36m 51s develop
develop
36m 51s
Refactor: merge before_all_runners of tddft and lcao (#5531) Container #2301: Commit 8b98a20 pushed by mohanchen
4h 10m 41s develop
develop
4h 10m 41s
Fix: set zero for unused psi data for nspin4 (#5524) Container #2300: Commit 8040017 pushed by mohanchen
3h 2m 35s develop
develop
3h 2m 35s
Fix: fix the stoi failure for output flag out_chg (#5526) Container #2299: Commit 7ef0528 pushed by mohanchen
3h 1m 46s develop
develop
3h 1m 46s
Update gint.h (#5525) Container #2298: Commit f041019 pushed by mohanchen
3h 0m 52s develop
develop
3h 0m 52s
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