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materialsproject / atomate2 Public

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Docs update, forcefield elastic convenience maker, forcefield enum hydration#1072

Merged

JaGeo merged 6 commits intomaterialsproject:mainmaterialsproject/atomate2:mainfrom esoteric-ephemera:1071esoteric-ephemera/atomate2:1071Copy head branch name to clipboard

Nov 26, 2024

+129-14

Conversation Commits6 (6)Checks Files changed

Commits

Commits on Nov 26, 2024

update EOS docs
esoteric-ephemera
committed
udpate docs with implementation details
esoteric-ephemera
committed
add convenience constructor method for forcefield ElasticMaker
esoteric-ephemera
committed
allow MLFF enum to treat str(MLFF.) as valid member
esoteric-ephemera
committed
precommit
esoteric-ephemera
committed
add small MLFF test
esoteric-ephemera
committed

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