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materialsproject / atomate2 Public

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Turn `ForceFieldRelaxMaker._calculator` method into `calculator` property#839

Merged

janosh merged 4 commits intomainmaterialsproject/atomate2:mainfrom fix-gh-838materialsproject/atomate2:fix-gh-838Copy head branch name to clipboard

May 10, 2024

+53-49

Conversation Commits4 (4)Checks Files changed

Commits

Commits on May 10, 2024

remove contextlib.redirect_stdout(io.StringIO()) from ForceFieldMDMaker
janosh
committed
turn ForceFieldRelaxMaker._calculator method into calculator property
janosh
committed
bump matgl>=1.1.1
janosh
committed
ruff opt into docstring-code-format = true
janosh
committed

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