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devcontainer.yml
646 workflow run results
646 workflow run results

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Fix: read atomic magnetization error (#5772) Container #2429: Commit c3e78f7 pushed by mohanchen
24m 6s develop
develop
24m 6s
Refactor: Replace nlm_save in DeePKS by HContainer object `phialpha… Container #2428: Commit 28df43d pushed by mohanchen
38m 39s develop
develop
38m 39s
Feature: LR-TDDFT absorption spectrum in velocity gauge (#5760) Container #2427: Commit 0cdab49 pushed by WHUweiqingzhou
19m 29s develop
develop
19m 29s
v3.9.0 Container #2426: Commit b22769f pushed by WHUweiqingzhou
15m 46s develop
develop
15m 46s
Feature: LR-TDDFT absorption spectrum in velocity gauge (#5760) Container #2425: Commit 0cdab49 pushed by mohanchen
41m 55s develop
develop
41m 55s
fix: segment fault in GPU-Davidson (#5763) Container #2424: Commit 28cb769 pushed by mohanchen
28m 26s develop
develop
28m 26s
Refactor: remove the Psi Constructors using int* ngk_in (#5745) Container #2423: Commit 91b0281 pushed by mohanchen
30m 36s develop
develop
30m 36s
Feature: enable cal_force and cal_stress in nscf (#5752) Container #2422: Commit dc7147d pushed by mohanchen
39m 45s develop
develop
39m 45s
update the docs of exx_ccp_rmesh_times and exx_real_number (#5758) Container #2421: Commit 25865a9 pushed by mohanchen
33m 21s develop
develop
33m 21s
Refactor: refactor neighbour atom search but no change on algo (#5759) Container #2420: Commit e315694 pushed by mohanchen
23m 36s develop
develop
23m 36s
Refactor: split pseudopot_cell_vl and pseudopot_cell_vnl (#5743) Container #2419: Commit 38cef80 pushed by mohanchen
23m 59s develop
develop
23m 59s
Refactor: remove GlobalC::Pgrid (#5740) Container #2418: Commit 68248c6 pushed by Qianruipku
24m 14s develop
develop
24m 14s
Refactor:Remove GlobalC::ucell (#5737) Container #2417: Commit c611100 pushed by mohanchen
23m 58s develop
develop
23m 58s
Fix: Segment Fault of PAW (#5738) Container #2416: Commit f0ff82b pushed by mohanchen
40m 2s develop
develop
40m 2s
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
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