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January 22, 2025 14:21 4m 31s
minor change
ci #37: Commit bf42087 pushed by shufay
October 27, 2024 20:15 5m 5s main
October 27, 2024 20:15 5m 5s
Add test code for spin rotation
ci #36: Commit d530837 pushed by shufay
October 27, 2024 19:31 4m 19s main
October 27, 2024 19:31 4m 19s
Add spin collinearity test and untested spin rotation code
ci #35: Commit ad28d23 pushed by shufay
October 26, 2024 02:32 4m 42s main
October 26, 2024 02:32 4m 42s
added some more equilibration options
ci #34: Commit 78c17df pushed by ankit76
October 18, 2024 21:27 4m 35s main
October 18, 2024 21:27 4m 35s
added energy mpi test
ci #33: Commit 2b96c60 pushed by ankit76
October 18, 2024 15:53 4m 21s main
October 18, 2024 15:53 4m 21s
small change
ci #32: Commit 433bb18 pushed by ankit76
October 13, 2024 05:58 4m 9s main
October 13, 2024 05:58 4m 9s
October 10, 2024 14:46 4m 7s
change in handling of outliers
ci #30: Commit 0d6b74f pushed by ankit76
October 8, 2024 20:17 4m 0s main
October 8, 2024 20:17 4m 0s
updated examples
ci #29: Commit a56c16f pushed by ankit76
October 7, 2024 18:58 4m 10s main
October 7, 2024 18:58 4m 10s
updated notebooks
ci #28: Commit 1e2d8eb pushed by ankit76
October 1, 2024 21:30 4m 7s main
October 1, 2024 21:30 4m 7s
Nuclear gradients
ci #27: Pull request #1 synchronize by jokurian
August 13, 2024 16:40 4m 19s jokurian:main
August 13, 2024 16:40 4m 19s
added the ucisd class.
ci #26: Commit eeb297a pushed by sanshar
August 1, 2024 20:39 4m 22s main
August 1, 2024 20:39 4m 22s
Nuclear gradients
ci #25: Pull request #1 synchronize by jokurian
July 30, 2024 17:22 4m 10s jokurian:main
July 30, 2024 17:22 4m 10s
Nuclear gradients
ci #24: Pull request #1 synchronize by jokurian
July 30, 2024 17:06 3m 5s jokurian:main
July 30, 2024 17:06 3m 5s
Nuclear gradients
ci #23: Pull request #1 synchronize by jokurian
July 30, 2024 16:59 4m 13s jokurian:main
July 30, 2024 16:59 4m 13s
added unrestricted auto class
ci #22: Commit 2a1671d pushed by ankit76
July 29, 2024 04:19 4m 29s main
July 29, 2024 04:19 4m 29s
Nuclear gradients
ci #21: Pull request #1 opened by jokurian
July 25, 2024 16:48 3m 13s jokurian:main
July 25, 2024 16:48 3m 13s
added msd example
ci #20: Commit 097d889 pushed by ankit76
July 21, 2024 00:29 3m 5s main
July 21, 2024 00:29 3m 5s
fixed test
ci #19: Commit a50f342 pushed by ankit76
July 17, 2024 21:06 2m 54s main
July 17, 2024 21:06 2m 54s
forgot to add dets file
ci #18: Commit 63d6ca5 pushed by ankit76
July 17, 2024 20:35 1m 40s main
July 17, 2024 20:35 1m 40s
added pyscf to ci
ci #17: Commit 5c780a6 pushed by ankit76
July 17, 2024 20:33 1m 51s main
July 17, 2024 20:33 1m 51s
added h5py to requirements
ci #16: Commit 1cc1b02 pushed by ankit76
July 17, 2024 19:55 1m 31s main
July 17, 2024 19:55 1m 31s
July 17, 2024 19:51 1m 49s
July 14, 2024 23:00 2m 0s