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678 workflow run results
678 workflow run results

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Perf: support GPU version of cal_force_cc with LCAO basis (#6392) Container #2783: Commit 6d035e7 pushed by mohanchen
35m 33s develop
develop
35m 33s
Optimize RT-TDDFT dipole output (#6393) Container #2782: Commit 7edc682 pushed by mohanchen
2h 2m 40s develop
develop
2h 2m 40s
Feature: Output real space wavefunction and partial charge density wh… Container #2781: Commit 14ae255 pushed by mohanchen
1h 45m 9s develop
develop
1h 45m 9s
Feature: support the output of matrix representation of symm_ops (#6390) Container #2780: Commit b994d95 pushed by mohanchen
1h 29m 28s develop
develop
1h 29m 28s
Update the outputs of geometry relaxation (#6387) Container #2779: Commit 23271d2 pushed by mohanchen
34m 52s develop
develop
34m 52s
[Refactor] Rename grid to module_grid and genelpa to module_genelpa (… Container #2778: Commit 7aa668a pushed by mohanchen
1h 10m 38s develop
develop
1h 10m 38s
Update the output formats of rt-TDDFT (#6381) Container #2777: Commit d48a646 pushed by mohanchen
35m 3s develop
develop
35m 3s
Add use sw and fix Floating point exception (#6372) Container #2776: Commit 9cfddf3 pushed by mohanchen
1h 21m 4s develop
develop
1h 21m 4s
refactor Exx_Opt_Orb (#6378) Container #2775: Commit 3f312e8 pushed by mohanchen
49m 37s develop
develop
49m 37s
Fix: Fix memory leak introduced by new gint module (#6375) Container #2774: Commit 012c216 pushed by mohanchen
19m 2s develop
develop
19m 2s
Refactor: Remove redundant Input_para from ESolver Class (#6370) Container #2773: Commit 7c68dfc pushed by mohanchen
33m 17s develop
develop
33m 17s
Feature: Support linear combination of coulomb_param for EXX PW (#6371) Container #2772: Commit b8e9264 pushed by mohanchen
1h 39m 43s develop
develop
1h 39m 43s
Improve md calculation stress output in running log (#6366) Container #2771: Commit db41600 pushed by mohanchen
1h 35m 29s develop
develop
1h 35m 29s
Uploading hybrid gauge tddft (#6369) Container #2770: Commit 8e8c30f pushed by mohanchen
49m 26s develop
develop
49m 26s
Print eigenvalues for all k-points in running log when kpar > 1 (#6367) Container #2769: Commit b554f40 pushed by mohanchen
18m 39s develop
develop
18m 39s
Refactor: the initialization scheme in LRI_CV (#6363) Container #2768: Commit 3a842b0 pushed by mohanchen
32m 51s develop
develop
32m 51s
[Refactor] Move module_parameter to source_io. Reorganize source_lcao… Container #2767: Commit c873197 pushed by mohanchen
35m 6s develop
develop
35m 6s
Feature: Implement Xu-Wang-Ma KEDF (#6359) Container #2766: Commit 83709c9 pushed by mohanchen
35m 36s develop
develop
35m 36s
update version (#6360) Container #2765: Commit 3bb2226 pushed by dzzz2001
55m 36s v3.9.0.9
v3.9.0.9
55m 36s
update version (#6360) Container #2764: Commit 3bb2226 pushed by sunliang98
51m 27s develop
develop
51m 27s
Feature: long-range corrected hybrid functionals implementation with … Container #2763: Commit ab49ad9 pushed by mohanchen
33m 16s develop
develop
33m 16s
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