Add inplace flag to select whether to adjust entries in place #2841
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This was referenced Feb 12, 2023
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@peikai Really nice work! Thanks for adding tests. 👍 |
janosh
approved these changes
Feb 12, 2023
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Great 👏 |
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With regard to the discussion in #2832, this PR is submitted to avoid always adjusting entries in place.
A flag
inplaceis added intoprocess_entriesmethod for several compatibility schemes, includingCompatibility(),MaterialsProjectDFTMixingScheme, andMaterialsProjectAqueousCompatibility. Ifinplace = False, entries will be processed on a copy.Corresponding unittests have also been added.