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

Open Andrew-S-Rosen opened this issue 1 year ago • 0 comments

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 avatar Mar 17 '24 02:03 Andrew-S-Rosen