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CederGroupHub / chgnet Public

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Dispersion#192

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bowen-bd merged 4 commits intoCederGroupHub:mainCederGroupHub/chgnet:mainfrom ajhoffman1229:dispersionajhoffman1229/chgnet:dispersionCopy head branch name to clipboard

Aug 31, 2024

+283-9

Conversation Commits4 (4)Checks Files changed

Commits

Commits on Aug 23, 2024

ENH: add dispersion tutorial
ajh1229
committed
STY: format dispersion notebook
ajh1229
committed

Commits on Aug 24, 2024

add extra deps set dispersion = ["dftd4>=3.6", "torch-dftd>=0.4"]
janosh
committed
tweak dispersion.ipynb var names
janosh
committed

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