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PBC gaussian density fitting GPU kernels
self hosted CI #848: Pull request #297 synchronize by sunqm
January 25, 2025 00:52 48m 22s sunqm:rsdf
January 25, 2025 00:52 48m 22s
PBC gaussian density fitting GPU kernels
self hosted CI #847: Pull request #297 synchronize by sunqm
January 24, 2025 21:36 1h 38m 16s sunqm:rsdf
January 24, 2025 21:36 1h 38m 16s
PBC gaussian density fitting GPU kernels
self hosted CI #846: Pull request #297 synchronize by sunqm
January 24, 2025 21:32 1h 11m 19s sunqm:rsdf
January 24, 2025 21:32 1h 11m 19s
PBC gaussian density fitting GPU kernels
self hosted CI #845: Pull request #297 synchronize by sunqm
January 24, 2025 19:07 3h 5m 24s sunqm:rsdf
January 24, 2025 19:07 3h 5m 24s
Fix the bug that libcusolver.so.11 exist but libcusolver.so does not …
self hosted CI #844: Commit 1593f2a pushed by wxj6000
January 24, 2025 07:48 47m 48s master
January 24, 2025 07:48 47m 48s
Fix the bug of not able to find libcusolver.so if only libcusolver.so.11 exist
self hosted CI #843: Pull request #317 opened by henryw7
January 24, 2025 06:25 47m 57s bytedance:so_version
January 24, 2025 06:25 47m 57s
[WIP] TDDFT gradient
self hosted CI #842: Pull request #312 synchronize by puzhichen
January 24, 2025 05:33 47m 59s bytedance:feat/tddft-grad-pzc-only
January 24, 2025 05:33 47m 59s
Analytical PCM 2nd derivative
self hosted CI #841: Pull request #302 synchronize by henryw7
January 23, 2025 23:52 1h 24m 38s bytedance:pcm_hessian_2nd_term
January 23, 2025 23:52 1h 24m 38s
Analytical PCM 2nd derivative
self hosted CI #840: Pull request #302 synchronize by henryw7
January 23, 2025 23:16 1h 11m 41s bytedance:pcm_hessian_2nd_term
January 23, 2025 23:16 1h 11m 41s
Analytical PCM 2nd derivative
self hosted CI #839: Pull request #302 synchronize by henryw7
January 23, 2025 22:50 48m 50s bytedance:pcm_hessian_2nd_term
January 23, 2025 22:50 48m 50s
Analytical PCM 2nd derivative
self hosted CI #838: Pull request #302 synchronize by henryw7
January 23, 2025 20:19 44m 43s bytedance:pcm_hessian_2nd_term
January 23, 2025 20:19 44m 43s
PBC gaussian density fitting GPU kernels
self hosted CI #837: Pull request #297 synchronize by sunqm
January 23, 2025 17:56 48m 37s sunqm:rsdf
January 23, 2025 17:56 48m 37s
Analytical PCM 2nd derivative
self hosted CI #836: Pull request #302 synchronize by henryw7
January 23, 2025 02:02 1h 23m 1s bytedance:pcm_hessian_2nd_term
January 23, 2025 02:02 1h 23m 1s
[WIP] Feat/add tddft test
self hosted CI #835: Pull request #315 opened by puzhichen
January 23, 2025 01:48 48m 27s bytedance:feat/add-tddft-test
January 23, 2025 01:48 48m 27s
PBC gaussian density fitting GPU kernels
self hosted CI #834: Pull request #297 synchronize by sunqm
January 22, 2025 23:55 48m 30s sunqm:rsdf
January 22, 2025 23:55 48m 30s
Bugfix: atomic number in esp.py (#314)
self hosted CI #833: Commit fb5326d pushed by sunqm
January 22, 2025 14:31 48m 24s master
January 22, 2025 14:31 48m 24s
Bugfix: atomic number in esp.py
self hosted CI #832: Pull request #314 synchronize by wxj6000
January 22, 2025 05:28 1h 10m 25s wxj6000-patch-1
January 22, 2025 05:28 1h 10m 25s
Bugfix: atomic number in esp.py
self hosted CI #831: Pull request #314 opened by wxj6000
January 22, 2025 04:54 1h 13m 38s wxj6000-patch-1
January 22, 2025 04:54 1h 13m 38s
Analytical PCM 2nd derivative
self hosted CI #830: Pull request #302 synchronize by henryw7
January 22, 2025 00:35 47m 59s bytedance:pcm_hessian_2nd_term
January 22, 2025 00:35 47m 59s
PBC gaussian density fitting GPU kernels
self hosted CI #829: Pull request #297 synchronize by sunqm
January 21, 2025 18:31 23m 5s sunqm:rsdf
January 21, 2025 18:31 23m 5s
[WIP] TDDFT gradient
self hosted CI #828: Pull request #312 opened by puzhichen
January 21, 2025 01:43 47m 48s bytedance:feat/tddft-grad-pzc-only
January 21, 2025 01:43 47m 48s
Davidson iterations for tddft on GPU (#305)
self hosted CI #827: Commit 6ea5c6c pushed by sunqm
January 20, 2025 15:13 48m 17s master
January 20, 2025 15:13 48m 17s
More bound checks in numint (#309)
self hosted CI #826: Commit 86ca248 pushed by sunqm
January 20, 2025 15:09 48m 2s master
January 20, 2025 15:09 48m 2s
Davidson iterations for tddft on GPU
self hosted CI #825: Pull request #305 synchronize by puzhichen
January 20, 2025 04:53 1h 14m 59s bytedance:feat/gpudavidson
January 20, 2025 04:53 1h 14m 59s
Bugfix: Hessian CPHF memory footprint for RSH functionals (#311)
self hosted CI #824: Commit 0add455 pushed by wxj6000
January 19, 2025 19:41 47m 48s master
January 19, 2025 19:41 47m 48s