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616 workflow run results
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Fix: Add MPI synchronization for ekb band energy tensor, and now GP… Container #2762: Commit 4b15663 pushed by mohanchen
1h 10m 11s develop
develop
1h 10m 11s
Fix calculation type inconsistency across MPI ranks (#6356) Container #2761: Commit 918d11b pushed by mohanchen
30m 32s develop
develop
30m 32s
[Refactor] Rename module_tddft and hamilt_ofdft and hamilt_stodft and… Container #2760: Commit f5e43ab pushed by mohanchen
35m 22s develop
develop
35m 22s
type 1 fix with std::complex (#6346) Container #2759: Commit ca96d8e pushed by mohanchen
1h 8m 45s develop
develop
1h 8m 45s
Refactor: Refactor KEDF management in ESolver_OF (#6349) Container #2758: Commit 47bfd69 pushed by mohanchen
18m 51s develop
develop
18m 51s
Refactor: new ccp param framework (#6350) Container #2757: Commit 8528f51 pushed by PeizeLin
32m 13s develop
develop
32m 13s
[Refactor] Move module_ri to source_lcao/module_ri and module_rdmft t… Container #2756: Commit 174f31f pushed by mohanchen
56m 35s develop
develop
56m 35s
Remove useless and outdated write_psi_r_1 interface and improve rel… Container #2755: Commit 2260530 pushed by mohanchen
58m 1s develop
develop
58m 1s
Add "#TOTAL ENERGY#" after each ion step (#6342) Container #2754: Commit e7917d4 pushed by mohanchen
46m 2s develop
develop
46m 2s
add exx nscf file check (#6289) Container #2753: Commit e84abb4 pushed by PeizeLin
21m 19s LTS
LTS
21m 19s
Rename module_md module_relax module_hamilt_lcao module_io (#6340) Container #2752: Commit adaa38e pushed by mohanchen
46m 10s develop
develop
46m 10s
new gint module (This is a big PR that replaces old integral codes) (… Container #2751: Commit 96730e8 pushed by mohanchen
47m 36s develop
develop
47m 36s
Remove INPUT parameter nbands_istate and unify the naming of real s… Container #2750: Commit 9631697 pushed by mohanchen
1h 0m 23s develop
develop
1h 0m 23s
Fix: Fix Compile Error on CUDA Version > 12.9 (#6337) Container #2749: Commit 37bc08a pushed by mohanchen
46m 17s develop
develop
46m 17s
[Refactor] Rename module_elecstate and module_psi and module_hamilt_p… Container #2748: Commit 3e3f708 pushed by mohanchen
45m 51s develop
develop
45m 51s
Refactor: clean Davidson code, remove deprecated overlap matrix scc r… Container #2747: Commit 17d9f1d pushed by mohanchen
1h 4m 52s develop
develop
1h 4m 52s
Fix: skip mix_dmr after the last iteration (#6331) Container #2746: Commit 2861312 pushed by mohanchen
50m 18s develop
develop
50m 18s
Refactor: release the limit (<150) on length of comment lines of INPU… Container #2745: Commit 71a7b2d pushed by mohanchen
1h 0m 25s develop
develop
1h 0m 25s
Reformat running log, delete 'printe' command in INPUT and fix the ou… Container #2744: Commit 80c5265 pushed by mohanchen
45m 35s develop
develop
45m 35s
Add deepks_out_freq_elec for outputting deepks labels during electron… Container #2743: Commit eb9b228 pushed by xuan112358
44m 28s develop
develop
44m 28s
[Refactor] Rename module_basis to source_basis || module_cell to sour… Container #2742: Commit 7f417b2 pushed by mohanchen
45m 19s develop
develop
45m 19s
Feature&Doc&Tests: Support for deepks_v_delta=-1&-2 (#6245) Container #2741: Commit f049059 pushed by mohanchen
45m 37s develop
develop
45m 37s
change INPUT exx_ for linear combination of coulomb_param (#6316) Container #2740: Commit 867adf7 pushed by mohanchen
1h 32m 8s develop
develop
1h 32m 8s
1. change Exx_Info_Global::coulomb_param from unordered_map to map (D… Container #2739: Commit 9cd3350 pushed by mohanchen
1h 52m 45s develop
develop
1h 52m 45s
Fix reinterpret bug for c10::complex<double>. (#6321) Container #2738: Commit 44ff32e pushed by mohanchen
1h 18m 14s develop
develop
1h 18m 14s