make_ase_atoms#

casm.project.ase_utils.make_ase_atoms(
casm_structure: Structure,
) → Atoms[source]#

Given a CASM Structure , convert it to an ASE Atoms

Attention

This method only works for non-magnetic atomic structures. If the structure contains molecular information, an error will be raised.

Parameters:

casm_structure (xtal.Structure) –

Return type:

ase.Atoms