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devcontainer.yml
347 workflow run results
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Refactor: remove #include hsolver.h (#5609) Container #2345: Commit 1527c37 pushed by mohanchen
21m 58s develop
develop
21m 58s
Refactor:Remove the dependency of the Psi in the FFT module (#5564) Container #2344: Commit 664f996 pushed by mohanchen
26m 38s develop
develop
26m 38s
Refactor: move wf_atomic and wavefunc files (#5613) Container #2343: Commit 5d8dce5 pushed by mohanchen
28m 0s develop
develop
28m 0s
fix wrong nscf energy of sDFT (#5618) Container #2342: Commit 0f569ff pushed by mohanchen
29m 43s develop
develop
29m 43s
Feature: enable get_s for nspin=4 (#5614) Container #2341: Commit 3d64446 pushed by mohanchen
21m 41s develop
develop
21m 41s
Refactor: Remove cal_ux from ucell. (#5608) Container #2340: Commit 93ac7e3 pushed by mohanchen
1h 43m 59s develop
develop
1h 43m 59s
Refactor: move psiinit file to hsolver folder (#5601) Container #2339: Commit 9bc8960 pushed by mohanchen
21m 52s develop
develop
21m 52s
Grid batching by adapted cut-plane (#5599) Container #2338: Commit 6df5c6d pushed by WHUweiqingzhou
36m 16s develop
develop
36m 16s
Refactor: split sum_stoband to sum_stoband and cal_storho (#5600) Container #2337: Commit cab5894 pushed by WHUweiqingzhou
40m 25s develop
develop
40m 25s
fix stuck in out_chg (#5603) Container #2336: Commit 6a98a1a pushed by WHUweiqingzhou
35m 18s develop
develop
35m 18s
update the DCU compile (#5563) Container #2335: Commit 0fd832e pushed by Qianruipku
27m 3s develop
develop
27m 3s
Feature: set relax_nmax=0 to enable dry run (#5595) Container #2334: Commit 5e94cb2 pushed by Qianruipku
3h 5m 21s develop
develop
3h 5m 21s
Refactor: remove template for get_S (#5593) Container #2333: Commit df94f88 pushed by YuLiu98
4h 21m 43s develop
develop
4h 21m 43s
Refactor: move tmp charge density output to esolver_ks (#5592) Container #2332: Commit 7e9d081 pushed by mohanchen
7h 13m 17s develop
develop
7h 13m 17s
Update operator_lcao.h (#5584) Container #2331: Commit 0f37fe5 pushed by WHUweiqingzhou
1h 27m 40s develop
develop
1h 27m 40s
Update overlap_new.cpp (#5581) Container #2330: Commit 1fb3347 pushed by WHUweiqingzhou
1h 27m 12s develop
develop
1h 27m 12s
Update LCAO_hamilt.hpp (#5580) Container #2329: Commit 9a5c974 pushed by WHUweiqingzhou
36m 43s develop
develop
36m 43s
modify docs. fix #5575 (#5588) Container #2328: Commit 8b048f4 pushed by mohanchen
36m 52s develop
develop
36m 52s
restart from HexxR.csr produced by out_chg (#5586) Container #2327: Commit 2ba4117 pushed by mohanchen
44m 22s develop
develop
44m 22s
Refactor: remove GlobalC::ucell in esolver (#5569) Container #2326: Commit 4ac1e8a pushed by mohanchen
37m 13s develop
develop
37m 13s
Update elecstate.cpp (#5579) Container #2325: Commit c9f7973 pushed by YuLiu98
1h 3m 46s develop
develop
1h 3m 46s
Refactor: remove some unused variables in module_gint (#5568) Container #2324: Commit 9cc044e pushed by mohanchen
36m 35s develop
develop
36m 35s
Fix: Fix the warning triggered in error of SCAN_END. (#5576) Container #2323: Commit 2c2ed13 pushed by mohanchen
37m 22s develop
develop
37m 22s
Refactor: remove wf from esolver (#5567) Container #2322: Commit ed2fecf pushed by mohanchen
3h 56m 28s develop
develop
3h 56m 28s
Refactor: remove init_wfc&mem_saver&out_wfc_pw&out_wfc_r of w… Container #2321: Commit e0202e0 pushed by WHUweiqingzhou
41s v3.8.3
v3.8.3
41s