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Allow energy minimization maker to report energies (#1004) build-docs #350: Commit fb9a6e8 pushed by janosh
October 1, 2024 17:24 9m 33s main
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October 1, 2024 17:24 9m 33s
Update changelog build-docs #349: Commit 3c0be95 pushed by utf
September 30, 2024 09:05 9m 5s main
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September 30, 2024 09:05 9m 5s
Split tests (#985) build-docs #348: Commit ec1b598 pushed by janosh
September 29, 2024 18:32 9m 44s main
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September 29, 2024 18:32 9m 44s
Fix prev_dir behavior in input set generator of MPGGAStaticMaker … build-docs #347: Commit a24649e pushed by janosh
September 29, 2024 17:06 9m 12s main
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September 29, 2024 17:06 9m 12s
Excise openff dependency from openmm testing (#993) build-docs #346: Commit 9600cef pushed by janosh
September 27, 2024 14:40 10m 16s main
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September 27, 2024 14:40 10m 16s
Bump min supported Python to 3.10 (#992) build-docs #345: Commit 96b2b82 pushed by janosh
September 26, 2024 14:27 9m 29s main
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September 26, 2024 14:27 9m 29s
Update changelog build-docs #344: Commit 79aaf15 pushed by utf
September 26, 2024 09:03 9m 16s main
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September 26, 2024 09:03 9m 16s
Generalize forcefields for generic ASE calculator support (#940) build-docs #343: Commit fdb4894 pushed by janosh
September 25, 2024 14:27 10m 20s main
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September 25, 2024 14:27 10m 20s
Including VASP surface adsorption flow (#691) build-docs #342: Commit 2513903 pushed by utf
September 24, 2024 15:26 10m 29s main
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September 24, 2024 15:26 10m 29s
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