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347 workflow run results
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Add support for INPUT deepks_v_delta>0 in multi-k points DeePKS calcu… Container #2395: Commit f8ef50f pushed by mohanchen
33m 0s develop
develop
33m 0s
Refactor:remove GlobalC::ucell in module_ri (#5698) Container #2394: Commit 3afb499 pushed by mohanchen
35m 7s develop
develop
35m 7s
Feature: GGA XC kernel for LR-TDDFT at nspin=2 (#5712) Container #2393: Commit 2c109a0 pushed by mohanchen
50m 1s develop
develop
50m 1s
Refactor: add smooth threshold support for bpcg method (#5709) Container #2392: Commit ab2a789 pushed by mohanchen
52m 14s develop
develop
52m 14s
update Conv_Coulomb_Pot_K::Ccp_Type (#5702) Container #2391: Commit c5d5eab pushed by mohanchen
29m 31s develop
develop
29m 31s
Refactor: add smooth threshold support for david method (#5697) Container #2390: Commit fd3a6d8 pushed by mohanchen
49m 12s develop
develop
49m 12s
update exx code format (#5701) Container #2389: Commit de90fdf pushed by mohanchen
47m 30s develop
develop
47m 30s
Fix: initialize values in module_relax/relax_new (#5696) Container #2388: Commit fe7c74a pushed by mohanchen
28m 24s develop
develop
28m 24s
Refactor:Remove GlobalC::ucell in module_lr,module_psi (#5691) Container #2387: Commit f1d6055 pushed by mohanchen
30m 5s develop
develop
30m 5s
try to remove spin_now (#5689) Container #2386: Commit d3cb289 pushed by mohanchen
39m 45s develop
develop
39m 45s
Refacor: change the order of k-point parallel and band parallel. (#5692) Container #2385: Commit 3fec10a pushed by mohanchen
31m 41s develop
develop
31m 41s
Refactor: Remove cal_nelec and cal_nbands from unitcell.cpp. (#… Container #2384: Commit f997e86 pushed by mohanchen
22m 54s develop
develop
22m 54s
refactor: move parallel_2d to module_base (#5625) Container #2383: Commit 0f79c05 pushed by mohanchen
43m 9s develop
develop
43m 9s
Fix the overwriting between xc kernel components (#5654) Container #2382: Commit df7e8a5 pushed by mohanchen
38m 24s develop
develop
38m 24s
Fix: init_mixing before beforescf (#5683) Container #2381: Commit ce1fecf pushed by mohanchen
30m 42s develop
develop
30m 42s
Update bfgs.cpp (#5656) Container #2380: Commit d1ec60e pushed by mohanchen
32m 41s develop
develop
32m 41s
Refactor: Remove the functions about pseudopotential from Unitcell. (… Container #2379: Commit 6d26194 pushed by mohanchen
23m 29s develop
develop
23m 29s
Refactor: Move the print of H(k)&S(k) and wavefunctions to after_scf.… Container #2378: Commit 02b07c6 pushed by YuLiu98
37m 45s develop
develop
37m 45s
Refactor:Remove GlobalC::ucell in module_io (#5677) Container #2377: Commit e555490 pushed by YuLiu98
23m 3s develop
develop
23m 3s
Refactor:Remove GlobalC::ucell in module_pwdft (#5658) Container #2376: Commit 3b1fa6e pushed by mohanchen
33m 0s develop
develop
33m 0s
Refactor:Remove GlobalC::ucell in module_relax (#5668) Container #2375: Commit d11ac5e pushed by mohanchen
37m 49s develop
develop
37m 49s
Refactor: remove GlobalC::Grid_D in hamilt_lcao (#5664) Container #2374: Commit a363fdf pushed by mohanchen
23m 6s develop
develop
23m 6s
Refactor:Remove GloblaC::ucell in module_hsolver (#5657) Container #2373: Commit 48065a3 pushed by mohanchen
29m 40s develop
develop
29m 40s
Refactor: replaced the original atomlink data structure with the Stan… Container #2372: Commit a43cbfb pushed by mohanchen
23m 3s develop
develop
23m 3s
Update version.h (#5660) Container #2371: Commit b377902 pushed by WHUweiqingzhou
33m 15s v3.8.4
v3.8.4
33m 15s