Closed bpuchala closed 1 year ago
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.
mode
Structure.from_poscar
Structure.from_poscar_str
Related to https://github.com/prisms-center/CASMcode_mapping/issues/11
Add
modeparameter toStructure.from_poscarandStructure.from_poscar_strto specify whether the POSCAR should be read as atoms, molecules, or both.Related to https://github.com/prisms-center/CASMcode_mapping/issues/11