spacegroup_info

Full name: ase2sprkkr.sprkkr.spacegroup_info

Module class hierarchy

Inheritance diagram of ase2sprkkr.sprkkr.spacegroup_info.SpacegroupInfo, ase2sprkkr.sprkkr.spacegroup_info.SpacegroupInfoBlock

Description

Wrapper for spglib for computing symmetry of a primitive cell

Functions

site_type_copier(atoms)

Return a function, that always copy the site_type

used_site_type_copier(atoms)

Return a function, that copy the site_type, if it is requested more than once

Classes

SpacegroupInfo(atoms[, symmetry, dataset])

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

SpacegroupInfoBlock()