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Fix Python versions in CI
ci #30: Commit e76260e pushed by ElliottKasoar
February 26, 2024 12:32 4m 2s fix-python-ci
February 26, 2024 12:32 4m 2s
Specify device consistently (#42)
ci #29: Commit 2ae3869 pushed by ElliottKasoar
February 26, 2024 12:29 2m 28s main
February 26, 2024 12:29 2m 28s
Specify suitable devices
ci #28: Commit db5ce8f pushed by ElliottKasoar
February 23, 2024 17:21 2m 53s tidy-single-point
February 23, 2024 17:21 2m 53s
Tidy code
ci #27: Commit 7c8c727 pushed by ElliottKasoar
February 23, 2024 15:11 3m 55s tidy-single-point
February 23, 2024 15:11 3m 55s
Add geometry optimisation (#33)
ci #26: Commit ead43ec pushed by ElliottKasoar
February 23, 2024 15:04 2m 44s main
February 23, 2024 15:04 2m 44s
Remove unlinking for trajectory file
ci #25: Commit 435fa77 pushed by ElliottKasoar
February 23, 2024 14:43 3m 23s add-geo-opt
February 23, 2024 14:43 3m 23s
Clarify default filter
ci #24: Commit 430166f pushed by ElliottKasoar
February 23, 2024 12:20 2m 38s add-geo-opt
February 23, 2024 12:20 2m 38s
Fix docstrings
ci #23: Commit 0cbdcae pushed by ElliottKasoar
February 23, 2024 11:57 2m 43s add-geo-opt
February 23, 2024 11:57 2m 43s
Add option to save optimization trajectory
ci #22: Commit 51f8ebe pushed by ElliottKasoar
February 23, 2024 11:14 2m 37s add-geo-opt
February 23, 2024 11:14 2m 37s
Make type hints consistent
ci #21: Commit 9b11f9b pushed by ElliottKasoar
February 20, 2024 15:26 3m 20s add-geo-opt
February 20, 2024 15:26 3m 20s
Update docs
ci #20: Commit 5da7bc3 pushed by ElliottKasoar
February 20, 2024 15:08 2m 51s add-geo-opt
February 20, 2024 15:08 2m 51s
Update docs
ci #19: Commit 1c824cb pushed by ElliottKasoar
February 20, 2024 14:51 4m 21s add-geo-opt
February 20, 2024 14:51 4m 21s
Update docs
ci #18: Commit 56fffd8 pushed by ElliottKasoar
February 20, 2024 14:44 2m 43s add-geo-opt
February 20, 2024 14:44 2m 43s
Update docs
ci #17: Commit 32a9962 pushed by ElliottKasoar
February 20, 2024 14:38 2m 48s add-geo-opt
February 20, 2024 14:38 2m 48s
Update docs
ci #16: Commit b86c129 pushed by ElliottKasoar
February 19, 2024 12:58 2m 36s add-geo-opt
February 19, 2024 12:58 2m 36s
Add suggested installtion for ASE
ci #15: Commit 24becb1 pushed by ElliottKasoar
February 16, 2024 16:50 6m 41s add-single-point
February 16, 2024 16:50 6m 41s
Use tagged ASE
ci #14: Commit 059a9c2 pushed by ElliottKasoar
February 16, 2024 16:34 11m 30s add-single-point
February 16, 2024 16:34 11m 30s
Update ASE
ci #13: Commit 18a1d28 pushed by ElliottKasoar
February 16, 2024 13:31 2m 59s add-single-point
February 16, 2024 13:31 2m 59s
Replace UiO66 with NaCl for tests
ci #12: Commit b8f1a35 pushed by ElliottKasoar
February 16, 2024 13:25 34s add-single-point
February 16, 2024 13:25 34s
Add numpy doc links
ci #11: Commit 533fe75 pushed by ElliottKasoar
February 16, 2024 13:08 38s add-single-point
February 16, 2024 13:08 38s
Add force and stress calculations
ci #10: Commit a2bb272 pushed by ElliottKasoar
February 16, 2024 12:02 38s add-single-point
February 16, 2024 12:02 38s
Update API docs
ci #9: Commit a8bfc1d pushed by ElliottKasoar
February 16, 2024 10:59 35s add-geo-opt
February 16, 2024 10:59 35s
Tidy doc strings
ci #8: Commit 6377774 pushed by ElliottKasoar
February 16, 2024 10:04 38s add-single-point
February 16, 2024 10:04 38s
Update API docs
ci #7: Commit 657f240 pushed by ElliottKasoar
February 15, 2024 17:11 3m 39s add-single-point
February 15, 2024 17:11 3m 39s
Add ASE docs
ci #6: Commit a26aae2 pushed by ElliottKasoar
February 15, 2024 14:12 5m 9s add-single-point
February 15, 2024 14:12 5m 9s
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