tag_sites
Full name: ase2sprkkr.bindings.spglib.tag_sites
- ase2sprkkr.bindings.spglib.tag_sites(atoms, consider_old, return_mapping)[source]
Return array of class-equivalence-numbers of sites of a given Atoms object
- atoms
The atoms to return the equivalence classes
- consider_old
If True, tag according to the spacegroup_kinds (which for SPRKKRAtoms reflects the site_types. If False, tag just according to the atomic numbers and, for SPRKKRAtoms, occupancy (thus, possibly merge the old differnt site_types into one).
- Parameters:
atoms (Atoms)
consider_old (bool)
return_mapping (False)