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Add missing calculator_kwargs and remove outdated model/model_kwargs in ForceFieldRelaxMaker doc strings #830

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merged 4 commits into from
May 3, 2024

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@janosh janosh commented May 3, 2024

closes #829

@janosh janosh added the docs Improvements or additions to documentation label May 3, 2024
@janosh janosh enabled auto-merge (squash) May 3, 2024 15:55
@janosh janosh disabled auto-merge May 3, 2024 16:41
@janosh janosh merged commit 7e22064 into main May 3, 2024
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@janosh janosh deleted the fix-ff-maker-doc-str branch May 3, 2024 16:41
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janosh commented May 3, 2024

noting in case it comes up again that the codedov action seems to have gotten stuck

Screenshot 2024-05-03 at 12 41 09

esoteric-ephemera pushed a commit to esoteric-ephemera/atomate2 that referenced this pull request May 13, 2024
…args` in `ForceFieldRelaxMaker` doc strings (materialsproject#830)

* refactor

* document calculator_kwargs in all ForceFieldRelaxMaker subclasses

* document calculator_kwargs in Mace Makers and remove no-longer-existent model and model_kwargs from doc string

* improve test_ext_load
hrushikesh-s pushed a commit to hrushikesh-s/atomate2 that referenced this pull request Jun 28, 2024
…args` in `ForceFieldRelaxMaker` doc strings (materialsproject#830)

* refactor

* document calculator_kwargs in all ForceFieldRelaxMaker subclasses

* document calculator_kwargs in Mace Makers and remove no-longer-existent model and model_kwargs from doc string

* improve test_ext_load
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Feature: Easy switch between GPU/CPU for forcefields
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