empty_spheres_atoms

Full name: ase2sprkkr.bindings.empty_spheres.empty_spheres_atoms

ase2sprkkr.bindings.empty_spheres.empty_spheres_atoms(atoms, round_zero=True, **kwargs)[source]

Update the structure of the (SPRKKR) ASE atoms, adding the empty spheres and updating the shpheres radii of the atomic sites, according to an empty_spheres() result.