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Fix: update kinetic energy when all atoms are fixed (#5729) Container #2409: Commit 89df0f2 pushed by mohanchen
48m 51s develop
develop
48m 51s
update version (#5726) Container #2408: Commit e35b4bf pushed by mohanchen
23m 45s develop
develop
23m 45s
Feature: Allow directly compiling CUDA version on DCU harware (#5727) Container #2407: Commit ccd2874 pushed by mohanchen
27m 49s develop
develop
27m 49s
Refactor: add const for Grid_Driver (#5725) Container #2406: Commit 4891b2e pushed by mohanchen
23m 24s develop
develop
23m 24s
Refactor: remove GlobalC::GridD (#5720) Container #2405: Commit 1f9779d pushed by Qianruipku
1m 51s v3.8.5
v3.8.5
1m 51s
Refactor: remove GlobalC::GridD (#5720) Container #2404: Commit 1f9779d pushed by mohanchen
23m 36s develop
develop
23m 36s
Refactor: Combine gamma-only and multi-k versions of some functions i… Container #2403: Commit d73b1d2 pushed by mohanchen
32m 25s develop
develop
32m 25s
Fix: Fix the Ewald force and stress when atom number of some elements… Container #2402: Commit 3b3466e pushed by mohanchen
23m 19s develop
develop
23m 19s
add check for smearing_method (#5718) Container #2401: Commit 7b33110 pushed by mohanchen
33m 22s develop
develop
33m 22s
Fixed the bug of wannier90 interface (#5719) Container #2400: Commit 7c36c49 pushed by YuLiu98
36m 34s develop
develop
36m 34s
Docs: Gitee repo info and toolchain info update (#5666) Container #2399: Commit ea3a0dd pushed by mohanchen
33m 7s develop
develop
33m 7s
Refactor: add smooth threshold support for cg method (#5713) Container #2398: Commit 4b88ee8 pushed by mohanchen
23m 32s develop
develop
23m 32s
Feature: DFT+U for noncollinear spin calculation with PW base (#5703) Container #2397: Commit c9c0189 pushed by mohanchen
23m 25s develop
develop
23m 25s
Update Wannier90 interface document. (#5714) Container #2396: Commit 5280bd4 pushed by mohanchen
23m 47s develop
develop
23m 47s
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