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The VASP recipes are the only ones with relax_cell = True as default #1887

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Andrew-S-Rosen opened this issue Mar 17, 2024 · 0 comments
Open

The VASP recipes are the only ones with relax_cell = True as default #1887

Andrew-S-Rosen opened this issue Mar 17, 2024 · 0 comments
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@Andrew-S-Rosen
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What would you like to report?

All the recipes with relax_cell: bool as a keyword argument default to False except for VASP, where it defaults to True. This may lead to potentially confusing behavior for users of multiple sets of recipes.

This one is a bit messy to deal with since it would be a major breaking change either way. I'm just going to log it here for now.
@Andrew-S-Rosen Andrew-S-Rosen mentioned this issue Mar 17, 2024
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Andrew-S-Rosen added a commit that referenced this issue Mar 17, 2024
@Andrew-S-Rosen @pre-commit-ci
Add an ase_relax_job for VASP (#1888)
5666eaf 
Closes #1887.

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Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
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