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599 workflow run results
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Fix: Fix memory leak introduced by new gint module (#6375) Doxygen Documentation Deployment #1049: Commit 012c216 pushed by mohanchen
4m 14s develop
develop
4m 14s
Refactor: Remove redundant Input_para from ESolver Class (#6370) Doxygen Documentation Deployment #1048: Commit 7c68dfc pushed by mohanchen
4m 22s develop
develop
4m 22s
Feature: Support linear combination of coulomb_param for EXX PW (#6371) Doxygen Documentation Deployment #1047: Commit b8e9264 pushed by mohanchen
5m 2s develop
develop
5m 2s
Improve md calculation stress output in running log (#6366) Doxygen Documentation Deployment #1046: Commit db41600 pushed by mohanchen
4m 50s develop
develop
4m 50s
Uploading hybrid gauge tddft (#6369) Doxygen Documentation Deployment #1045: Commit 8e8c30f pushed by mohanchen
3m 48s develop
develop
3m 48s
Print eigenvalues for all k-points in running log when kpar > 1 (#6367) Doxygen Documentation Deployment #1044: Commit b554f40 pushed by mohanchen
5m 9s develop
develop
5m 9s
Refactor: the initialization scheme in LRI_CV (#6363) Doxygen Documentation Deployment #1043: Commit 3a842b0 pushed by mohanchen
4m 18s develop
develop
4m 18s
[Refactor] Move module_parameter to source_io. Reorganize source_lcao… Doxygen Documentation Deployment #1042: Commit c873197 pushed by mohanchen
4m 58s develop
develop
4m 58s
Feature: Implement Xu-Wang-Ma KEDF (#6359) Doxygen Documentation Deployment #1041: Commit 83709c9 pushed by mohanchen
4m 48s develop
develop
4m 48s
update version (#6360) Doxygen Documentation Deployment #1040: Commit 3bb2226 pushed by sunliang98
5m 21s develop
develop
5m 21s
Feature: long-range corrected hybrid functionals implementation with … Doxygen Documentation Deployment #1039: Commit ab49ad9 pushed by mohanchen
5m 0s develop
develop
5m 0s
Fix: Add MPI synchronization for ekb band energy tensor, and now GP… Doxygen Documentation Deployment #1038: Commit 4b15663 pushed by mohanchen
4m 23s develop
develop
4m 23s
Fix calculation type inconsistency across MPI ranks (#6356) Doxygen Documentation Deployment #1037: Commit 918d11b pushed by mohanchen
1m 51s develop
develop
1m 51s
[Refactor] Rename module_tddft and hamilt_ofdft and hamilt_stodft and… Doxygen Documentation Deployment #1036: Commit f5e43ab pushed by mohanchen
4m 47s develop
develop
4m 47s
type 1 fix with std::complex (#6346) Doxygen Documentation Deployment #1035: Commit ca96d8e pushed by mohanchen
6m 3s develop
develop
6m 3s
Refactor: Refactor KEDF management in ESolver_OF (#6349) Doxygen Documentation Deployment #1034: Commit 47bfd69 pushed by mohanchen
4m 10s develop
develop
4m 10s
Refactor: new ccp param framework (#6350) Doxygen Documentation Deployment #1033: Commit 8528f51 pushed by PeizeLin
4m 13s develop
develop
4m 13s
[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