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Add internal coordinate harmonic model CI #108: Pull request #26 synchronize by WardLT
December 4, 2023 12:49 2m 8s add_jacobian
add_jacobian
December 4, 2023 12:49 2m 8s
Remove deprecated file CI #107: Commit b7bf370 pushed by WardLT
December 4, 2023 12:49 2m 13s add_jacobian
add_jacobian
December 4, 2023 12:49 2m 13s
Add internal coordinate harmonic model CI #106: Pull request #26 synchronize by WardLT
December 4, 2023 12:45 2m 16s add_jacobian
add_jacobian
December 4, 2023 12:45 2m 16s
Make the test even more lenient CI #105: Commit 216d276 pushed by WardLT
December 4, 2023 12:45 2m 8s add_jacobian
add_jacobian
December 4, 2023 12:45 2m 8s
Add internal coordinate harmonic model CI #104: Pull request #26 synchronize by WardLT
December 4, 2023 12:38 2m 7s add_jacobian
add_jacobian
December 4, 2023 12:38 2m 7s
Skip accuracy test for Harmonic on cartesian CI #103: Commit 26843f6 pushed by WardLT
December 4, 2023 12:38 2m 4s add_jacobian
add_jacobian
December 4, 2023 12:38 2m 4s
Add internal coordinate harmonic model CI #102: Pull request #26 opened by WardLT
December 4, 2023 12:33 2m 5s add_jacobian
add_jacobian
December 4, 2023 12:33 2m 5s
Merge branch 'main' into add_jacobian CI #101: Commit 9e82cc6 pushed by WardLT
December 4, 2023 12:32 2m 8s add_jacobian
add_jacobian
December 4, 2023 12:32 2m 8s
Move the exact answer to be the first dir CI #100: Commit 68a5589 pushed by WardLT
December 4, 2023 12:21 2m 15s add_jacobian
add_jacobian
December 4, 2023 12:21 2m 15s
Move the exact answer to be the first dir CI #99: Commit f756eeb pushed by WardLT
December 4, 2023 12:20 2m 21s add_jacobian
add_jacobian
December 4, 2023 12:20 2m 21s
Remove only notebook directory CI #98: Commit 4b998c6 pushed by WardLT
December 4, 2023 12:18 2m 28s add_jacobian
add_jacobian
December 4, 2023 12:18 2m 28s
use internal coordinates in linear model (linear_internals.py) (#25) CI #97: Commit 0d8df9a pushed by WardLT
December 4, 2023 12:16 2m 12s add_jacobian
add_jacobian
December 4, 2023 12:16 2m 12s
Compare sampling methods for the same molecule (#22) CI #96: Commit d5f72c1 pushed by WardLT
December 4, 2023 12:14 2m 13s internal-coord
internal-coord
December 4, 2023 12:14 2m 13s
use internal coordinates in linear model (linear_internals.py) CI #95: Pull request #25 opened by snelliott
November 17, 2023 04:47 2m 50s snelliott:add_jacobian
snelliott:add_jacobian
November 17, 2023 04:47 2m 50s
Compare sampling methods for the same molecule (#22) CI #94: Commit d5f72c1 pushed by WardLT
November 16, 2023 14:42 2m 9s main
main
November 16, 2023 14:42 2m 9s
Compare sampling methods for the same molecule CI #93: Pull request #22 synchronize by WardLT
November 16, 2023 14:39 2m 6s papermill
papermill
November 16, 2023 14:39 2m 6s
Add enthalpy to the comaprison CI #92: Commit 5862dd9 pushed by WardLT
November 16, 2023 14:39 2m 11s papermill
papermill
November 16, 2023 14:39 2m 11s
Compare sampling methods for the same molecule CI #91: Pull request #22 synchronize by WardLT
November 16, 2023 14:39 2m 7s papermill
papermill
November 16, 2023 14:39 2m 7s
Measure the enthalpy too CI #90: Commit 47e788d pushed by WardLT
November 16, 2023 14:39 2m 6s papermill
papermill
November 16, 2023 14:39 2m 6s
Compare sampling methods for the same molecule CI #89: Pull request #22 synchronize by WardLT
November 16, 2023 14:38 2m 8s papermill
papermill
November 16, 2023 14:38 2m 8s
Scale perturbations by number of atoms involved CI #88: Commit 77cbe07 pushed by WardLT
November 16, 2023 14:38 2m 12s papermill
papermill
November 16, 2023 14:38 2m 12s
Compare sampling methods for the same molecule CI #87: Pull request #22 synchronize by WardLT
November 15, 2023 19:20 2m 5s papermill
papermill
November 15, 2023 19:20 2m 5s
First notebook for comparing sampling methods CI #86: Commit 62fa41b pushed by WardLT
November 15, 2023 19:20 2m 6s papermill
papermill
November 15, 2023 19:20 2m 6s
Compare sampling methods for the same molecule CI #85: Pull request #22 synchronize by WardLT
November 15, 2023 19:18 2m 2s papermill
papermill
November 15, 2023 19:18 2m 2s
Compute heat capacities too CI #84: Commit b65e0d1 pushed by WardLT
November 15, 2023 19:18 2m 1s papermill
papermill
November 15, 2023 19:18 2m 1s