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devcontainer.yml
337 workflow run results
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Docs: move doxygen to headers for DiagoDavid class and add some new (… Container #2415: Commit 0317913 pushed by mohanchen
23m 43s develop
develop
23m 43s
Refactor: remove GlobalC::solvent_model (#5735) Container #2414: Commit c1cb6ac pushed by mohanchen
38m 39s develop
develop
38m 39s
Feature: add smooth ethr for all iter methods (#5732) Container #2413: Commit 72bd505 pushed by mohanchen
33m 42s develop
develop
33m 42s
Refactor:remove GlobalC::ucell in module_elesctate (#5730) Container #2412: Commit 815bff5 pushed by mohanchen
23m 44s develop
develop
23m 44s
Refactor: Change some functions in module_deepks into template. (#5731) Container #2411: Commit 5c815a1 pushed by mohanchen
38m 23s develop
develop
38m 23s
update bfgs_trad method (#5662) Container #2410: Commit c099d03 pushed by mohanchen
44m 44s develop
develop
44m 44s
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