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ALIGNN github action

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add predict.py script ALIGNN github action #801: Pull request #92 synchronize by msehabibur
October 28, 2024 03:01 3m 35s msehabibur:main
msehabibur:main
October 28, 2024 03:01 3m 35s
Add images in all graphs. ALIGNN github action #800: Commit 2ef5930 pushed by knc6
October 27, 2024 22:13 14m 11s develop
develop
October 27, 2024 22:13 14m 11s
Lint ALIGNN github action #799: Commit 27708df pushed by knc6
October 27, 2024 15:14 44m 48s develop
develop
October 27, 2024 15:14 44m 48s
Lint ALIGNN github action #798: Commit f00a94a pushed by knc6
October 27, 2024 04:46 9m 49s develop
develop
October 27, 2024 04:46 9m 49s
Lint. ALIGNN github action #797: Commit 060e8b5 pushed by knc6
October 27, 2024 04:36 3m 27s develop
develop
October 27, 2024 04:36 3m 27s
Add ALIGNN_FF2, radius_graph_jarvis. ALIGNN github action #796: Commit 77837a3 pushed by knc6
October 27, 2024 01:23 3m 54s develop
develop
October 27, 2024 01:23 3m 54s
Add radius_graph_jarvis. ALIGNN github action #795: Commit d599de3 pushed by knc6
October 26, 2024 17:37 3m 30s develop
develop
October 26, 2024 17:37 3m 30s
Merge pull request #166 from usnistgov/develop ALIGNN github action #794: Commit 983ca4f pushed by knc6
September 9, 2024 21:38 9m 43s v2024.8.30
v2024.8.30
September 9, 2024 21:38 9m 43s
Merge pull request #166 from usnistgov/develop ALIGNN github action #793: Commit 983ca4f pushed by knc6
September 9, 2024 21:38 10m 15s main
main
September 9, 2024 21:38 10m 15s
matplotlib agg fix. ALIGNN github action #792: Pull request #166 synchronize by knc6
September 7, 2024 20:19 9m 21s develop
develop
September 7, 2024 20:19 9m 21s
matplotlib agg fix. ALIGNN github action #791: Commit f3a3779 pushed by knc6
September 7, 2024 20:19 9m 32s develop
develop
September 7, 2024 20:19 9m 32s
matplotlib agg fix. ALIGNN github action #790: Pull request #166 opened by knc6
September 7, 2024 20:17 9m 49s develop
develop
September 7, 2024 20:17 9m 49s
matplotlib agg fix. ALIGNN github action #789: Commit 5e11792 pushed by knc6
September 7, 2024 20:15 9m 12s develop
develop
September 7, 2024 20:15 9m 12s
Merge pull request #165 from usnistgov/develop ALIGNN github action #788: Commit 3397aa6 pushed by knc6
August 29, 2024 20:52 11m 0s v2024.8.27
v2024.8.27
August 29, 2024 20:52 11m 0s
Merge pull request #165 from usnistgov/develop ALIGNN github action #787: Commit 3397aa6 pushed by knc6
August 29, 2024 20:48 11m 8s main
main
August 29, 2024 20:48 11m 8s
Fix multigpu ALIGNN github action #786: Commit 9f78bd9 pushed by knc6
August 29, 2024 20:47 4m 29s multigpu
multigpu
August 29, 2024 20:47 4m 29s
Add MPtraj mode. ALIGNN github action #785: Pull request #165 opened by knc6
August 29, 2024 20:30 11m 29s develop
develop
August 29, 2024 20:30 11m 29s
Add MPtraj. ALIGNN github action #784: Commit ea84615 pushed by knc6
August 29, 2024 20:29 11m 35s develop
develop
August 29, 2024 20:29 11m 35s
Add new ff with MPtraj and jarvis_dft. ALIGNN github action #783: Commit 3b9d417 pushed by knc6
August 29, 2024 20:05 11m 31s develop
develop
August 29, 2024 20:05 11m 31s
Add new ff with MPtraj and jarvis_dft. ALIGNN github action #782: Commit 3d86580 pushed by knc6
August 29, 2024 19:54 3m 19s develop
develop
August 29, 2024 19:54 3m 19s
Lint fix. ALIGNN github action #781: Commit 0ed1d73 pushed by knc6
August 27, 2024 21:45 5m 49s multigpu
multigpu
August 27, 2024 21:45 5m 49s
DDP Multi GPU. ALIGNN github action #780: Commit 012aeaf pushed by knc6
August 27, 2024 19:48 3m 21s multigpu
multigpu
August 27, 2024 19:48 3m 21s
Add cutoff. ALIGNN github action #779: Commit 327c3d1 pushed by knc6
July 29, 2024 12:39 4m 9s develop
develop
July 29, 2024 12:39 4m 9s
Fix FF calc. ALIGNN github action #778: Commit 8fb2bce pushed by knc6
July 25, 2024 20:02 3m 44s develop
develop
July 25, 2024 20:02 3m 44s
Fix for alignn_layers=0. ALIGNN github action #777: Commit 064c449 pushed by knc6
July 25, 2024 01:37 9m 31s develop
develop
July 25, 2024 01:37 9m 31s