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Improve md calculation stress output in running log (#6366)
Container #2771: Commit db41600 pushed by mohanchen
July 10, 2025 01:11 1h 35m 29s develop
July 10, 2025 01:11 1h 35m 29s
Uploading hybrid gauge tddft (#6369)
Container #2770: Commit 8e8c30f pushed by mohanchen
July 10, 2025 01:07 49m 26s develop
July 10, 2025 01:07 49m 26s
Print eigenvalues for all k-points in running log when kpar > 1 (#6367)
Container #2769: Commit b554f40 pushed by mohanchen
July 9, 2025 01:20 18m 39s develop
July 9, 2025 01:20 18m 39s
Refactor: the initialization scheme in LRI_CV (#6363)
Container #2768: Commit 3a842b0 pushed by mohanchen
July 8, 2025 06:19 32m 51s develop
July 8, 2025 06:19 32m 51s
July 5, 2025 07:36 35m 6s
Feature: Implement Xu-Wang-Ma KEDF (#6359)
Container #2766: Commit 83709c9 pushed by mohanchen
July 5, 2025 05:53 35m 36s develop
July 5, 2025 05:53 35m 36s
update version (#6360)
Container #2765: Commit 3bb2226 pushed by dzzz2001
July 4, 2025 12:14 55m 36s v3.9.0.9
July 4, 2025 12:14 55m 36s
update version (#6360)
Container #2764: Commit 3bb2226 pushed by sunliang98
July 4, 2025 12:00 51m 27s develop
July 4, 2025 12:00 51m 27s
July 4, 2025 09:24 33m 16s
Fix: Add MPI synchronization for ekb band energy tensor, and now GP…
Container #2762: Commit 4b15663 pushed by mohanchen
July 4, 2025 04:21 1h 10m 11s develop
July 4, 2025 04:21 1h 10m 11s
Fix calculation type inconsistency across MPI ranks (#6356)
Container #2761: Commit 918d11b pushed by mohanchen
July 4, 2025 04:19 30m 32s develop
July 4, 2025 04:19 30m 32s
July 3, 2025 06:22 35m 22s
type 1 fix with std::complex (#6346)
Container #2759: Commit ca96d8e pushed by mohanchen
July 2, 2025 14:49 1h 8m 45s develop
July 2, 2025 14:49 1h 8m 45s
Refactor: Refactor KEDF management in ESolver_OF (#6349)
Container #2758: Commit 47bfd69 pushed by mohanchen
July 2, 2025 13:57 18m 51s develop
July 2, 2025 13:57 18m 51s
Refactor: new ccp param framework (#6350)
Container #2757: Commit 8528f51 pushed by PeizeLin
July 2, 2025 11:30 32m 13s develop
July 2, 2025 11:30 32m 13s
July 1, 2025 04:35 56m 35s
July 1, 2025 04:32 58m 1s
Add "#TOTAL ENERGY#" after each ion step (#6342)
Container #2754: Commit e7917d4 pushed by mohanchen
July 1, 2025 04:29 46m 2s develop
July 1, 2025 04:29 46m 2s
add exx nscf file check (#6289)
Container #2753: Commit e84abb4 pushed by PeizeLin
June 28, 2025 05:06 21m 19s LTS
LTS
June 28, 2025 05:06 21m 19s
Rename module_md module_relax module_hamilt_lcao module_io (#6340)
Container #2752: Commit adaa38e pushed by mohanchen
June 27, 2025 13:49 46m 10s develop
June 27, 2025 13:49 46m 10s
new gint module (This is a big PR that replaces old integral codes) (…
Container #2751: Commit 96730e8 pushed by mohanchen
June 27, 2025 09:02 47m 36s develop
June 27, 2025 09:02 47m 36s
Remove INPUT parameter nbands_istate and unify the naming of real s…
Container #2750: Commit 9631697 pushed by mohanchen
June 26, 2025 14:26 1h 0m 23s develop
June 26, 2025 14:26 1h 0m 23s
Fix: Fix Compile Error on CUDA Version > 12.9 (#6337)
Container #2749: Commit 37bc08a pushed by mohanchen
June 26, 2025 13:47 46m 17s develop
June 26, 2025 13:47 46m 17s
[Refactor] Rename module_elecstate and module_psi and module_hamilt_p…
Container #2748: Commit 3e3f708 pushed by mohanchen
June 25, 2025 14:18 45m 51s develop
June 25, 2025 14:18 45m 51s
Refactor: clean Davidson code, remove deprecated overlap matrix scc r…
Container #2747: Commit 17d9f1d pushed by mohanchen
June 24, 2025 16:22 1h 4m 52s develop
June 24, 2025 16:22 1h 4m 52s