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Prevent temp steps less than timestep (#437)
docs #262: Commit b4f4146 pushed by ElliottKasoar
February 21, 2025 17:46 2m 2s main
February 21, 2025 17:46 2m 2s
bump version for release 0.7.3
docs #261: Commit 2402ff3 pushed by ElliottKasoar
February 20, 2025 18:49 2m 2s main
February 20, 2025 18:49 2m 2s
Tidy neb (#438)
docs #260: Commit bb587cc pushed by alinelena
February 20, 2025 17:07 1m 59s main
February 20, 2025 17:07 1m 59s
Remove cancel-in-progress for docs (#439)
docs #259: Commit 04e544b pushed by alinelena
February 20, 2025 16:43 2m 15s main
February 20, 2025 16:43 2m 15s
Add NEB tutorial (#435)
docs #258: Commit 51aa20c pushed by alinelena
February 19, 2025 19:42 1m 57s main
February 19, 2025 19:42 1m 57s
Add upper limit for sphinx (#434)
docs #257: Commit 1f68b98 pushed by alinelena
February 19, 2025 19:22 3m 11s main
February 19, 2025 19:22 3m 11s
Fix CSVR temperature ramp (#414)
docs #256: Commit bd388e6 pushed by ElliottKasoar
February 19, 2025 15:07 2m 1s main
February 19, 2025 15:07 2m 1s
Add NEB (#393)
docs #255: Commit 0debc49 pushed by alinelena
February 19, 2025 14:16 2m 35s main
February 19, 2025 14:16 2m 35s
Add Orb support (#303)
docs #254: Commit 485084e pushed by ElliottKasoar
February 19, 2025 10:20 2m 3s main
February 19, 2025 10:20 2m 3s
add dpa3 calculator fixes #411 (#428)
docs #253: Commit 73a3ae6 pushed by ElliottKasoar
February 18, 2025 15:11 2m 4s main
February 18, 2025 15:11 2m 4s
Fix NPH and NVT_NH (#429)
docs #252: Commit 7eae3aa pushed by ElliottKasoar
February 18, 2025 14:18 1m 54s main
February 18, 2025 14:18 1m 54s
add nequip support fixes #223 (#304)
docs #251: Commit 88a3508 pushed by alinelena
February 17, 2025 13:38 1m 40s main
February 17, 2025 13:38 1m 40s
Update authors (#416)
docs #250: Commit f3d7f66 pushed by alinelena
February 14, 2025 06:17 1m 55s main
February 14, 2025 06:17 1m 55s
Adds post-process cli guide, specifying vafs by element name (#400)
docs #249: Commit b65c33f pushed by ElliottKasoar
February 12, 2025 16:20 1m 52s main
February 12, 2025 16:20 1m 52s
Add isotropic NPT MD (#410)
docs #248: Commit 3bcb8a7 pushed by ElliottKasoar
February 12, 2025 14:43 2m 24s main
February 12, 2025 14:43 2m 24s
bump version for release 0.7.2
docs #247: Commit 03822b9 pushed by ElliottKasoar
February 12, 2025 12:26 5s main
February 12, 2025 12:26 5s
Test tutorials (#399)
docs #246: Commit 24a3bf4 pushed by ElliottKasoar
February 12, 2025 11:45 3m 36s main
February 12, 2025 11:45 3m 36s
Add installation troubleshooting (#379)
docs #245: Commit c97046e pushed by ElliottKasoar
February 12, 2025 10:58 1m 22s main
February 12, 2025 10:58 1m 22s
Update codecarbon (#406)
docs #244: Commit 47569eb pushed by ElliottKasoar
February 6, 2025 10:06 1m 34s main
February 6, 2025 10:06 1m 34s
Specify Python version in dev docs (#401)
docs #243: Commit 6c6fc84 pushed by alinelena
February 6, 2025 07:08 1m 28s main
February 6, 2025 07:08 1m 28s
Update mace (#407)
docs #242: Commit aa40129 pushed by alinelena
February 6, 2025 07:04 1m 22s main
February 6, 2025 07:04 1m 22s
Add progress bars for single point properties (#402)
docs #241: Commit 87f66ae pushed by ElliottKasoar
February 5, 2025 13:49 1m 36s main
February 5, 2025 13:49 1m 36s
Add uv description (#396)
docs #240: Commit 85d5807 pushed by ElliottKasoar
January 31, 2025 16:35 1m 26s main
January 31, 2025 16:35 1m 26s
bump version for release 0.7.1
docs #239: Commit eb2a837 pushed by ElliottKasoar
January 30, 2025 17:29 1m 30s main
January 30, 2025 17:29 1m 30s
Update docs (#390)
docs #238: Commit 6f1e477 pushed by ElliottKasoar
January 30, 2025 14:53 1m 26s main
January 30, 2025 14:53 1m 26s