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Input set tutorial (#780) build-docs #341: Commit 7377fca pushed by utf
September 24, 2024 14:46 10m 26s main
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September 24, 2024 14:46 10m 26s
Frequency Flattening Optimizer (#863) build-docs #340: Commit 5131932 pushed by utf
September 24, 2024 14:45 10m 47s main
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September 24, 2024 14:45 10m 47s
Atomate2 OpenMM integration & broader classical MD framework (#782) build-docs #339: Commit 3d6a3a3 pushed by janosh
September 23, 2024 20:26 11m 43s main
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September 23, 2024 20:26 11m 43s
Remove emmet == pin in pyproject.toml and update version in `stri… build-docs #338: Commit 4403858 pushed by janosh
September 23, 2024 17:58 11m 19s main
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September 23, 2024 17:58 11m 19s
Bump sevenn from 0.9.3 to 0.9.3.post1 (#982) build-docs #337: Commit b837d5d pushed by janosh
September 16, 2024 18:45 11m 32s main
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September 16, 2024 18:45 11m 32s
Workflow for Quasi-harmonic approximation (forcefields and VASP) (#903) build-docs #336: Commit f1894c1 pushed by JaGeo
September 9, 2024 21:08 11m 27s main
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September 9, 2024 21:08 11m 27s
Anharmonicity Quantification workflow (#901) build-docs #335: Commit 49d1c1d pushed by JaGeo
August 24, 2024 14:01 11m 42s main
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August 24, 2024 14:01 11m 42s
bump ruff + auto-fixes build-docs #334: Commit 1ebc9a7 pushed by janosh
August 20, 2024 10:46 9m 58s main
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August 20, 2024 10:46 9m 58s
Merge branch 'main' of github.com:materialsproject/atomate2 build-docs #333: Commit 54a9645 pushed by utf
August 20, 2024 09:34 9m 22s main
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August 20, 2024 09:34 9m 22s
Update release.yml build-docs #332: Commit 87ee21a pushed by utf
August 20, 2024 09:28 10m 6s main
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August 20, 2024 09:28 10m 6s
Fix MPID assignment in electrode workflow (#956) build-docs #331: Commit 7c74022 pushed by utf
August 20, 2024 09:04 9m 23s main
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August 20, 2024 09:04 9m 23s
Remove README note about atomate2 mostly being for VASP (#957) build-docs #330: Commit 28ba426 pushed by utf
August 17, 2024 09:29 10m 42s main
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August 17, 2024 09:29 10m 42s
Added documentation about JSONStore usage within Installation (#945) build-docs #329: Commit bad9902 pushed by janosh
August 7, 2024 15:44 9m 27s main
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August 7, 2024 15:44 9m 27s
Add back symprec kwarg to MP and MatPES set generators (#947) build-docs #328: Commit f5ab8cc pushed by janosh
August 7, 2024 14:56 9m 32s main
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August 7, 2024 14:56 9m 32s
ruff fixes (#946) build-docs #327: Commit 8d57884 pushed by janosh
August 7, 2024 14:51 10m 44s main
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August 7, 2024 14:51 10m 44s
Add workflow to compute Gruneisen parameters (#752) build-docs #326: Commit 9c84108 pushed by janosh
August 6, 2024 23:47 10m 13s main
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August 6, 2024 23:47 10m 13s
bump matgl==1.1.3 build-docs #325: Commit f9ac8f4 pushed by janosh
August 6, 2024 23:47 56s main
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August 6, 2024 23:47 56s
Add workflow to compute Gruneisen parameters (#752) build-docs #324: Commit 9c84108 pushed by utf
July 31, 2024 10:53 10m 38s main
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July 31, 2024 10:53 10m 38s
Transition to pymatgen VASP input sets (#854) build-docs #323: Commit fad9396 pushed by utf
July 30, 2024 14:03 9m 46s main
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July 30, 2024 14:03 9m 46s
Lobster schema updates (#924) build-docs #322: Commit 270408f pushed by JaGeo
July 30, 2024 08:54 9m 11s main
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July 30, 2024 08:54 9m 11s
Add SevenNetRelaxMaker + SevenNetStaticMaker to force field jobs … build-docs #321: Commit c5b45b7 pushed by janosh
July 29, 2024 18:19 11m 8s main
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July 29, 2024 18:19 11m 8s
[WIP] Documentation update (#850) build-docs #320: Commit a9e5ede pushed by utf
July 18, 2024 15:53 9m 8s main
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July 18, 2024 15:53 9m 8s
Defect: Allow bulk SC calculation to be skipped. (#742) build-docs #319: Commit 7b719e5 pushed by utf
July 18, 2024 15:50 6m 12s main
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July 18, 2024 15:50 6m 12s
add additional fields as kwargs to PhononBSDOSDoc (#910) build-docs #318: Commit e945136 pushed by utf
July 18, 2024 15:45 5m 26s main
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July 18, 2024 15:45 5m 26s
fix CP2K TaskDocument (#900) build-docs #317: Commit 47d5acc pushed by utf
July 18, 2024 15:44 6m 30s main
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July 18, 2024 15:44 6m 30s