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materialsproject / atomate2 Public

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Alternative ASE/MLFF batch mode#1456

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esoteric-ephemera wants to merge 2 commits intomainmaterialsproject/atomate2:mainfrom

batch-asematerialsproject/atomate2:batch-aseCopy head branch name to clipboard

Conversation Commits2 (2)Checks Files changed

Open

Alternative ASE/MLFF batch mode#1456
esoteric-ephemera wants to merge 2 commits intomainfrom
batch-ase

Commits

Commits on Apr 7, 2026

cache ase calculator
esoteric-ephemera
committed
batch mode extension in phonons + tests adapted from #1196
esoteric-ephemera
committed

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