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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
bump ruff to v0.3.0 build-docs #266: Commit 6592f7a pushed by janosh
March 6, 2024 12:14 6m 41s main
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March 6, 2024 12:14 6m 41s
fixed tests (#765) build-docs #265: Commit 10fa443 pushed by Zhuoying
March 6, 2024 05:45 6m 27s main
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March 6, 2024 05:45 6m 27s
Update changelog build-docs #264: Commit 58703ef pushed by utf
February 29, 2024 13:54 6m 1s main
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February 29, 2024 13:54 6m 1s
Fix MP query (#755) build-docs #263: Commit ba2bb8a pushed by utf
February 29, 2024 13:51 5m 31s main
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February 29, 2024 13:51 5m 31s
Equation of state (EOS) workflows (#623) build-docs #262: Commit 40512d1 pushed by utf
February 29, 2024 12:56 7m 2s main
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February 29, 2024 12:56 7m 2s
Electrode Workflow (#655) build-docs #261: Commit 041ef53 pushed by utf
February 29, 2024 12:48 5m 46s main
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February 29, 2024 12:48 5m 46s
atomate2 aims (#562) build-docs #260: Commit 42742ce pushed by utf
February 29, 2024 12:47 5m 30s main
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February 29, 2024 12:47 5m 30s
Merge pull request #751 from naik-aakash/fix_phonon_flow build-docs #259: Commit 5055030 pushed by utf
February 28, 2024 10:22 5m 43s main
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February 28, 2024 10:22 5m 43s
Update minimum monty version, allow newer pydantic (#720) build-docs #258: Commit f6d80f8 pushed by utf
February 24, 2024 19:40 5m 13s main
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February 24, 2024 19:40 5m 13s
Add citation.cff file, Zenodo record and readme "How to cite" secti… build-docs #257: Commit 0ceb324 pushed by janosh
February 22, 2024 06:37 7m 6s main
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February 22, 2024 06:37 7m 6s
Define MLFF Enum to ensure consistent force field names (#729) build-docs #256: Commit eb6c547 pushed by janosh
February 18, 2024 15:43 4m 53s main
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February 18, 2024 15:43 4m 53s