spglib

Full name: ase2sprkkr.bindings.spglib

Module class hierarchy

Description

Wrapper for spglib for computing symmetry of a primitive cell

Functions

possibly_equivalent_sites(atoms[, ...])

Return the object that describe equivalence classes of the atoms from the given Atoms object (i.e.

Classes

SpacegroupInfo(atoms, spacegroup[, dataset, ...])

Class, that carry information about spacegroup and symmetry of a structure