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658 workflow run results
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Clean dependency: remove headers scalapack_connector that are not act… Doxygen Documentation Deployment #1062: Commit dc02067 pushed by mohanchen
1m 41s develop
develop
1m 41s
bump version to 3.9.0.10 (#6397) Doxygen Documentation Deployment #1061: Commit a94c62d pushed by sunliang98
5m 16s develop
develop
5m 16s
Fix a bug for the output information after relaxation (#6395) Doxygen Documentation Deployment #1060: Commit fe38a70 pushed by sunliang98
5m 5s develop
develop
5m 5s
[Refactor] Move module_lr to source_lcao and add a new folder module_… Doxygen Documentation Deployment #1059: Commit 063bd69 pushed by mohanchen
5m 1s develop
develop
5m 1s
Perf: support GPU version of cal_force_cc with LCAO basis (#6392) Doxygen Documentation Deployment #1058: Commit 6d035e7 pushed by mohanchen
4m 3s develop
develop
4m 3s
Optimize RT-TDDFT dipole output (#6393) Doxygen Documentation Deployment #1057: Commit 7edc682 pushed by mohanchen
5m 22s develop
develop
5m 22s
Feature: Output real space wavefunction and partial charge density wh… Doxygen Documentation Deployment #1056: Commit 14ae255 pushed by mohanchen
1m 16s develop
develop
1m 16s
Feature: support the output of matrix representation of symm_ops (#6390) Doxygen Documentation Deployment #1055: Commit b994d95 pushed by mohanchen
2m 59s develop
develop
2m 59s
Update the outputs of geometry relaxation (#6387) Doxygen Documentation Deployment #1054: Commit 23271d2 pushed by mohanchen
5m 5s develop
develop
5m 5s
[Refactor] Rename grid to module_grid and genelpa to module_genelpa (… Doxygen Documentation Deployment #1053: Commit 7aa668a pushed by mohanchen
4m 25s develop
develop
4m 25s
Update the output formats of rt-TDDFT (#6381) Doxygen Documentation Deployment #1052: Commit d48a646 pushed by mohanchen
5m 1s develop
develop
5m 1s
Add use sw and fix Floating point exception (#6372) Doxygen Documentation Deployment #1051: Commit 9cfddf3 pushed by mohanchen
4m 31s develop
develop
4m 31s
refactor Exx_Opt_Orb (#6378) Doxygen Documentation Deployment #1050: Commit 3f312e8 pushed by mohanchen
2m 36s develop
develop
2m 36s
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