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Move the data directory CI #133: Commit eec3e41 pushed by WardLT
December 6, 2023 12:41 2m 41s separate-geom
separate-geom
December 6, 2023 12:41 2m 41s
Separate relaxation method from Hessian method CI #132: Commit 3f0d8c2 pushed by WardLT
December 6, 2023 12:39 2m 28s separate-geom
separate-geom
December 6, 2023 12:39 2m 28s
Add vibrations along estimated vibrational modes (#27) CI #131: Commit 1647a9c pushed by WardLT
December 5, 2023 19:29 2m 29s main
main
December 5, 2023 19:29 2m 29s
Add scaling for vibrational frequencies (#28) CI #130: Commit 919112a pushed by WardLT
December 5, 2023 19:21 2m 9s main
main
December 5, 2023 19:21 2m 9s
Add scaling for vibrational frequencies CI #129: Pull request #28 synchronize by WardLT
December 5, 2023 14:46 2m 18s scale-vibrations
scale-vibrations
December 5, 2023 14:46 2m 18s
Add notebook which assesses effect of rotation CI #128: Commit 975e817 pushed by WardLT
December 5, 2023 14:46 2m 12s scale-vibrations
scale-vibrations
December 5, 2023 14:46 2m 12s
Add scaling for vibrational frequencies CI #127: Pull request #28 synchronize by WardLT
December 5, 2023 13:43 2m 7s scale-vibrations
scale-vibrations
December 5, 2023 13:43 2m 7s
Refactor notebooks to simplify running different deltas CI #126: Commit 2bf3786 pushed by WardLT
December 5, 2023 13:43 2m 10s scale-vibrations
scale-vibrations
December 5, 2023 13:43 2m 10s
Add scaling for vibrational frequencies CI #125: Pull request #28 opened by WardLT
December 5, 2023 12:26 2m 17s scale-vibrations
scale-vibrations
December 5, 2023 12:26 2m 17s
Add scaling for vibrational frequencies CI #124: Commit 8f84e55 pushed by WardLT
December 5, 2023 12:25 2m 11s scale-vibrations
scale-vibrations
December 5, 2023 12:25 2m 11s
Add vibrations along estimated vibrational modes CI #123: Pull request #27 synchronize by WardLT
December 5, 2023 11:56 2m 28s vibrations
vibrations
December 5, 2023 11:56 2m 28s
Update the docstring CI #122: Commit 4d4e769 pushed by WardLT
December 5, 2023 11:56 2m 38s vibrations
vibrations
December 5, 2023 11:56 2m 38s
Add vibrations along estimated vibrational modes CI #121: Pull request #27 synchronize by WardLT
December 5, 2023 11:54 2m 30s vibrations
vibrations
December 5, 2023 11:54 2m 30s
Update the summary notebook CI #120: Commit ea75044 pushed by WardLT
December 5, 2023 11:54 2m 35s vibrations
vibrations
December 5, 2023 11:54 2m 35s
Add vibrations along estimated vibrational modes CI #119: Pull request #27 synchronize by WardLT
December 4, 2023 20:42 2m 29s vibrations
vibrations
December 4, 2023 20:42 2m 29s
Remove translation and rotational modes, sample w/ replacement CI #118: Commit 34e5e1d pushed by WardLT
December 4, 2023 20:42 2m 26s vibrations
vibrations
December 4, 2023 20:42 2m 26s
Add vibrations along estimated vibrational modes CI #117: Pull request #27 synchronize by WardLT
December 4, 2023 18:06 12m 45s vibrations
vibrations
December 4, 2023 18:06 12m 45s
Initial implementation CI #116: Commit ba9766e pushed by WardLT
December 4, 2023 18:06 2m 28s vibrations
vibrations
December 4, 2023 18:06 2m 28s
Add internal coordinate harmonic model (#26) CI #115: Commit 938be43 pushed by WardLT
December 4, 2023 18:04 2m 16s main
main
December 4, 2023 18:04 2m 16s
Initial implementation of vib scaling CI #114: Commit 6dcb490 pushed by WardLT
December 4, 2023 18:03 2m 9s main
main
December 4, 2023 18:03 2m 9s
Add internal coordinate harmonic model (#26) CI #113: Commit 938be43 pushed by WardLT
December 4, 2023 15:24 2m 10s main
main
December 4, 2023 15:24 2m 10s
Add vibrations along estimated vibrational modes CI #112: Pull request #27 opened by WardLT
December 4, 2023 15:23 2m 35s vibrations
vibrations
December 4, 2023 15:23 2m 35s
Re-add support for xTB CI #111: Commit 8cc979e pushed by WardLT
December 4, 2023 15:20 2m 49s vibrations
vibrations
December 4, 2023 15:20 2m 49s
Re-add support for xTB CI #110: Commit 3a0bf53 pushed by WardLT
December 4, 2023 15:19 2m 6s main
main
December 4, 2023 15:19 2m 6s
Add internal coordinate harmonic model (#26) CI #109: Commit 938be43 pushed by WardLT
December 4, 2023 12:50 2m 8s main
main
December 4, 2023 12:50 2m 8s