spacegroup_info

Full name: ase2sprkkr.sprkkr.spacegroup_info

Module class hierarchy

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

BaseSpacegroupInfo()
RegionSpacegroupInfo(spacegroup_info, region)
SpacegroupInfo(atoms[, symmetry, dataset])	Class, that carry information about spacegroup and symmetry of a structure
SpacegroupInfoBlock()	Class, for locking the update of spacegroup_info.