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Add minimization tests
ci #152: Commit ad5a439 pushed by ElliottKasoar
March 22, 2024 10:00 2m 29s add-md
March 22, 2024 10:00 2m 29s
Add minimization tests
ci #151: Commit 42ebee4 pushed by ElliottKasoar
March 22, 2024 09:35 3m 0s add-md
March 22, 2024 09:35 3m 0s
Add minimization tests
ci #150: Commit b32c5ea pushed by ElliottKasoar
March 22, 2024 09:31 3m 44s add-md
March 22, 2024 09:31 3m 44s
Update docs
ci #149: Commit 03675e3 pushed by ElliottKasoar
March 21, 2024 14:29 9m 50s add-md
March 21, 2024 14:29 9m 50s
Fix isinstance for Python 3.9
ci #148: Commit 22af55d pushed by ElliottKasoar
March 21, 2024 13:49 2m 43s add-md
March 21, 2024 13:49 2m 43s
Add Ensembles Literal
ci #147: Commit 01f5044 pushed by ElliottKasoar
March 21, 2024 11:18 2m 45s add-md
March 21, 2024 11:18 2m 45s
Add skeleton for MD
ci #146: Commit 0889414 pushed by ElliottKasoar
March 21, 2024 10:55 5m 3s add-md
March 21, 2024 10:55 5m 3s
Update geometry optimization (#85)
ci #145: Commit 15d8fc0 pushed by ElliottKasoar
March 21, 2024 10:53 7m 9s main
March 21, 2024 10:53 7m 9s
Update geometry optimization (#85)
docs #27: Commit 15d8fc0 pushed by ElliottKasoar
March 21, 2024 10:53 4s main
March 21, 2024 10:53 4s
Update docs
ci #144: Commit 0318825 pushed by ElliottKasoar
March 20, 2024 17:10 3m 9s convergence-warning
March 20, 2024 17:10 3m 9s
Add log and warning for max force
ci #143: Commit 00336b9 pushed by ElliottKasoar
March 20, 2024 17:07 2m 44s convergence-warning
March 20, 2024 17:07 2m 44s
Fix typos
ci #142: Commit 7ee14c6 pushed by ElliottKasoar
March 20, 2024 15:51 19m 9s convergence-warning
March 20, 2024 15:51 19m 9s
Fix typos
ci #141: Commit 31adfe3 pushed by ElliottKasoar
March 20, 2024 15:44 3m 6s convergence-warning
March 20, 2024 15:44 3m 6s
Fix error message
ci #140: Commit 05d9d0a pushed by ElliottKasoar
March 20, 2024 15:41 16m 3s convergence-warning
March 20, 2024 15:41 16m 3s
Allow opt_kwargs to be passed to geomopt
ci #139: Commit a22dfd2 pushed by ElliottKasoar
March 20, 2024 15:29 13m 43s convergence-warning
March 20, 2024 15:29 13m 43s
Tidy code (#81)
ci #138: Commit f4ef2e5 pushed by ElliottKasoar
March 20, 2024 10:41 8m 39s main
March 20, 2024 10:41 8m 39s
Tidy code (#81)
docs #26: Commit f4ef2e5 pushed by ElliottKasoar
March 20, 2024 10:41 3s main
March 20, 2024 10:41 3s
Tidy CLI help, docstrings and tests
ci #137: Commit 1250b52 pushed by ElliottKasoar
March 19, 2024 15:30 2m 50s tidy-code
March 19, 2024 15:30 2m 50s
Fix tox configuration
docs #25: Commit 3038a2d pushed by ElliottKasoar
March 19, 2024 11:24 3s main
March 19, 2024 11:24 3s
Fix tox configuration
ci #136: Commit 3038a2d pushed by ElliottKasoar
March 19, 2024 11:24 5m 2s main
March 19, 2024 11:24 5m 2s
Fix tox configuration
ci #135: Commit d630a4f pushed by ElliottKasoar
March 19, 2024 10:49 4m 16s fix-tox
March 19, 2024 10:49 4m 16s
bump version for release 0.1.0b3
ci #134: Commit b1eea8a pushed by ElliottKasoar
March 18, 2024 16:23 13m 7s main
March 18, 2024 16:23 13m 7s
bump version for release 0.1.0b3
docs #24: Commit b1eea8a pushed by ElliottKasoar
March 18, 2024 16:23 3s main
March 18, 2024 16:23 3s
Add tests for geometry optimization
ci #133: Commit ab28f73 pushed by ElliottKasoar
March 18, 2024 14:38 9m 12s update-tests
March 18, 2024 14:38 9m 12s
Add geomopt to CLI (#70)
docs #23: Commit 722e01a pushed by ElliottKasoar
March 18, 2024 14:09 4s main
March 18, 2024 14:09 4s
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