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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
Added NEP MLIP relax, static, and MD makers (#893) build-docs #316: Commit 1118986 pushed by utf
July 18, 2024 15:37 6m 7s main
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July 18, 2024 15:37 6m 7s
Merge branch 'main' of github.com:materialsproject/atomate2 build-docs #315: Commit 58f8b9a pushed by utf
July 18, 2024 15:36 7m 11s main
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July 18, 2024 15:36 7m 11s
Tutorial for blob storage with test (#776) build-docs #314: Commit 42cae12 pushed by utf
July 18, 2024 15:31 5m 51s main
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July 18, 2024 15:31 5m 51s
Add elastic workflow for FHI-aims (#871) build-docs #313: Commit aaa1f7b pushed by utf
July 18, 2024 15:28 5m 54s main
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July 18, 2024 15:28 5m 54s
Writing tutorial for high level overview of atomate2 concepts. (#757) build-docs #312: Commit 99104ac pushed by utf
July 18, 2024 15:22 5m 33s main
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July 18, 2024 15:22 5m 33s
Docs: add Document Models / emmet tutorial (#917) build-docs #311: Commit 7fa53f5 pushed by utf
July 18, 2024 15:09 5m 47s main
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July 18, 2024 15:09 5m 47s
Update sphinx version build-docs #310: Commit 5984ba9 pushed by utf
July 18, 2024 15:07 5m 54s main
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July 18, 2024 15:07 5m 54s
Fix docs build-docs #309: Commit 593f962 pushed by utf
July 18, 2024 15:06 4m 9s main
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July 18, 2024 15:06 4m 9s
Fix JobStoreDocument attribute access (#710) build-docs #308: Commit 0291106 pushed by utf
July 18, 2024 14:02 4m 0s main
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July 18, 2024 14:02 4m 0s
Equation of State workflow for FHI-aims (#889) build-docs #307: Commit 0817ede pushed by janosh
July 16, 2024 13:25 6m 6s main
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July 16, 2024 13:25 6m 6s
Add possibility to use your own M3GNet potential (#911) build-docs #306: Commit d30890f pushed by JaGeo
July 10, 2024 15:18 6m 13s main
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July 10, 2024 15:18 6m 13s
ruff fixes (#894) build-docs #305: Commit 40bfecd pushed by janosh
June 22, 2024 19:16 6m 22s main
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June 22, 2024 19:16 6m 22s
Add test for supercell matrix creation in phonon workflow (#873) build-docs #304: Commit cda583b pushed by JaGeo
June 5, 2024 07:32 6m 3s main
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June 5, 2024 07:32 6m 3s
transpose matrix (#872) build-docs #303: Commit 8016942 pushed by utf
June 4, 2024 16:31 5m 57s main
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June 4, 2024 16:31 5m 57s
Handling failures in elastic flow (#861) build-docs #302: Commit a5e502f pushed by JaGeo
May 29, 2024 15:40 6m 19s main
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May 29, 2024 15:40 6m 19s