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Structure.from_poscar #17

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merged 1 commit into from
Oct 5, 2023

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@bpuchala bpuchala commented Oct 5, 2023

Add mode parameter to Structure.from_poscar and Structure.from_poscar_str to specify whether the POSCAR should be read as atoms, molecules, or both.

Related to prisms-center/CASMcode_mapping#11

…r to specify whether the POSCAR should be read as atoms, molecules, or both
@bpuchala bpuchala merged commit 99d36dd into prisms-center:2.X Oct 5, 2023
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