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Update LobsterTaskDoc (#723) build-docs #291: Commit ae3d0d6 pushed by janosh
May 11, 2024 19:37 5m 57s main
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May 11, 2024 19:37 5m 57s
Turn ForceFieldRelaxMaker._calculator method into calculator prop… build-docs #290: Commit 6b9d8bb pushed by janosh
May 10, 2024 19:30 9m 47s main
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May 10, 2024 19:30 9m 47s
Add missing calculator_kwargs and remove outdated model/`model_kw… build-docs #289: Commit 7e22064 pushed by janosh
May 3, 2024 16:41 7m 53s main
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May 3, 2024 16:41 7m 53s
Add more details to the installation guide (#810) build-docs #288: Commit 974b9cd pushed by janosh
April 26, 2024 03:59 5m 34s main
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April 26, 2024 03:59 5m 34s
Add fix_symmetry: bool = False option to forcefield relax makers (#… build-docs #287: Commit 782abc1 pushed by janosh
April 26, 2024 01:24 5m 59s main
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April 26, 2024 01:24 5m 59s
Simplify phonon get_supercell_size() and test clean up (#783) build-docs #286: Commit e408beb pushed by janosh
April 25, 2024 23:13 6m 25s main
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April 25, 2024 23:13 6m 25s
Remove abinit __all__ module star exports (#804) build-docs #285: Commit f25693d pushed by janosh
April 10, 2024 08:41 5m 52s main
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April 10, 2024 08:41 5m 52s
Abinit workflows: static, non-scf and relaxation. (#183) build-docs #284: Commit f26b43b pushed by utf
April 8, 2024 13:52 6m 24s main
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April 8, 2024 13:52 6m 24s
Bump numpydoc from 1.6.0 to 1.7.0 (#796) build-docs #283: Commit 256b39a pushed by janosh
April 4, 2024 08:53 6m 14s main
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April 4, 2024 08:53 6m 14s
Bump ipython from 8.22.2 to 8.23.0 (#798) build-docs #282: Commit 4e86f58 pushed by janosh
April 4, 2024 08:50 7m 36s main
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April 4, 2024 08:50 7m 36s
Bump phonopy from 2.22.0 to 2.22.1 (#795) build-docs #281: Commit d403233 pushed by janosh
April 4, 2024 08:48 6m 39s main
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April 4, 2024 08:48 6m 39s
Bump monty from 2024.2.26 to 2024.3.31 (#797) build-docs #280: Commit 1e001f3 pushed by janosh
April 4, 2024 08:48 7m 9s main
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April 4, 2024 08:48 7m 9s
Add flexible filename and extension to phonon new_plotter (#792) build-docs #279: Commit 1e5ee50 pushed by janosh
April 4, 2024 06:08 7m 7s main
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April 4, 2024 06:08 7m 7s
Add dir_name to ForceFieldMaker and **task_document_kwargs to from_as… build-docs #278: Commit c831245 pushed by janosh
April 4, 2024 05:31 5m 42s main
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April 4, 2024 05:31 5m 42s
Forcefield molecular dynamics and forcefield refactor (#722) build-docs #277: Commit 2687443 pushed by janosh
April 3, 2024 17:50 6m 52s main
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April 3, 2024 17:50 6m 52s
Porting qchem into atomate2 (#689) build-docs #276: Commit b55cf83 pushed by utf
April 3, 2024 11:18 5m 42s main
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April 3, 2024 11:18 5m 42s
Warn on non-default ATOMATE2_CONFIG_FILE that's not found (#794) build-docs #275: Commit ad8257c pushed by janosh
April 1, 2024 11:05 7m 43s main
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April 1, 2024 11:05 7m 43s
Corrected typo in doc (#775) build-docs #274: Commit 16b7266 pushed by utf
March 28, 2024 10:59 5m 59s main
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March 28, 2024 10:59 5m 59s
Auto-update pre-commit hooks (#756) build-docs #273: Commit 9f64381 pushed by janosh
March 8, 2024 09:57 5m 51s main
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March 8, 2024 09:57 5m 51s
revert to pytest 8.0.2, 8.1.0 was yanked due to breaking few plugins build-docs #272: Commit 9260b84 pushed by janosh
March 8, 2024 09:31 5m 48s main
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March 8, 2024 09:31 5m 48s
Bump pytest from 8.0.2 to 8.1.0 (#761) build-docs #271: Commit 0b32207 pushed by janosh
March 8, 2024 07:13 6m 15s main
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March 8, 2024 07:13 6m 15s
Bump monty from 2024.2.2 to 2024.2.26 (#762) build-docs #270: Commit 6aee293 pushed by janosh
March 8, 2024 07:11 5m 57s main
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March 8, 2024 07:11 5m 57s
Add nequip force field relax- and staticmaker and corresponding tests… build-docs #269: Commit 573184c pushed by janosh
March 7, 2024 19:37 5m 36s main
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March 7, 2024 19:37 5m 36s
rename vars/functions prefixed with _ but cross-imported (#767) build-docs #268: Commit ee0f525 pushed by janosh
March 6, 2024 14:38 6m 15s main
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March 6, 2024 14:38 6m 15s
Add revert_default_dtype context manager to fix clashing global `to… build-docs #267: Commit 0ce2086 pushed by janosh
March 6, 2024 13:00 5m 44s main
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March 6, 2024 13:00 5m 44s