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626 workflow run results
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[Refactor] Move module_ri to source_lcao/module_ri and module_rdmft t… Doxygen Documentation Deployment #1032: Commit 174f31f pushed by mohanchen
4m 35s develop
develop
4m 35s
Remove useless and outdated write_psi_r_1 interface and improve rel… Doxygen Documentation Deployment #1031: Commit 2260530 pushed by mohanchen
3m 21s develop
develop
3m 21s
Add "#TOTAL ENERGY#" after each ion step (#6342) Doxygen Documentation Deployment #1030: Commit e7917d4 pushed by mohanchen
3m 33s develop
develop
3m 33s
Rename module_md module_relax module_hamilt_lcao module_io (#6340) Doxygen Documentation Deployment #1029: Commit adaa38e pushed by mohanchen
4m 18s develop
develop
4m 18s
new gint module (This is a big PR that replaces old integral codes) (… Doxygen Documentation Deployment #1028: Commit 96730e8 pushed by mohanchen
5m 48s develop
develop
5m 48s
Remove INPUT parameter nbands_istate and unify the naming of real s… Doxygen Documentation Deployment #1027: Commit 9631697 pushed by mohanchen
6m 19s develop
develop
6m 19s
Fix: Fix Compile Error on CUDA Version > 12.9 (#6337) Doxygen Documentation Deployment #1026: Commit 37bc08a pushed by mohanchen
6m 40s develop
develop
6m 40s
[Refactor] Rename module_elecstate and module_psi and module_hamilt_p… Doxygen Documentation Deployment #1025: Commit 3e3f708 pushed by mohanchen
5m 20s develop
develop
5m 20s
Refactor: clean Davidson code, remove deprecated overlap matrix scc r… Doxygen Documentation Deployment #1024: Commit 17d9f1d pushed by mohanchen
5m 12s develop
develop
5m 12s
Fix: skip mix_dmr after the last iteration (#6331) Doxygen Documentation Deployment #1023: Commit 2861312 pushed by mohanchen
2m 2s develop
develop
2m 2s
Refactor: release the limit (<150) on length of comment lines of INPU… Doxygen Documentation Deployment #1022: Commit 71a7b2d pushed by mohanchen
5m 18s develop
develop
5m 18s
Reformat running log, delete 'printe' command in INPUT and fix the ou… Doxygen Documentation Deployment #1021: Commit 80c5265 pushed by mohanchen
1m 41s develop
develop
1m 41s
Add deepks_out_freq_elec for outputting deepks labels during electron… Doxygen Documentation Deployment #1020: Commit eb9b228 pushed by xuan112358
5m 0s develop
develop
5m 0s
[Refactor] Rename module_basis to source_basis || module_cell to sour… Doxygen Documentation Deployment #1019: Commit 7f417b2 pushed by mohanchen
4m 7s develop
develop
4m 7s
Feature&Doc&Tests: Support for deepks_v_delta=-1&-2 (#6245) Doxygen Documentation Deployment #1018: Commit f049059 pushed by mohanchen
4m 9s develop
develop
4m 9s
change INPUT exx_ for linear combination of coulomb_param (#6316) Doxygen Documentation Deployment #1017: Commit 867adf7 pushed by mohanchen
4m 12s develop
develop
4m 12s
1. change Exx_Info_Global::coulomb_param from unordered_map to map (D… Doxygen Documentation Deployment #1016: Commit 9cd3350 pushed by mohanchen
4m 8s develop
develop
4m 8s
Fix reinterpret bug for c10::complex<double>. (#6321) Doxygen Documentation Deployment #1015: Commit 44ff32e pushed by mohanchen
4m 59s develop
develop
4m 59s
Update version.h (#6320) Doxygen Documentation Deployment #1014: Commit 7620b59 pushed by xuan112358
5m 9s develop
develop
5m 9s
remove deprecated INPUT exx parameters (#6317) Doxygen Documentation Deployment #1013: Commit 8419964 pushed by mohanchen
4m 4s develop
develop
4m 4s
print out geometry information during bfgs_trad relax (#6314) Doxygen Documentation Deployment #1012: Commit 5f96c22 pushed by mohanchen
4m 34s develop
develop
4m 34s
Refactor: change the name of keyword force_thr_ev2 to `force_zero_o… Doxygen Documentation Deployment #1011: Commit 8d6b780 pushed by mohanchen
1m 3s develop
develop
1m 3s
[Refactor] Rename module_base to source_base (#6311) Doxygen Documentation Deployment #1010: Commit abcb9f2 pushed by mohanchen
1m 12s develop
develop
1m 12s
Refactor: the ccp parameters to support additional Coulomb matrix con… Doxygen Documentation Deployment #1009: Commit a145293 pushed by mohanchen
4m 10s develop
develop
4m 10s
Combine relax_new with relax_old (#6303) Doxygen Documentation Deployment #1008: Commit fe44679 pushed by mohanchen
4m 12s develop
develop
4m 12s