Virtual cluster

Utilities for virtual clusters.

VirtualClusterPG

VirtualClusterPG manages point-group virtual cluster (real).

class VirtualClusterPG(pg_tag)

Bases: dict

initialize the class.

Parameters:

pg_tag (TagGroup or str) -- point-group tag.

get(wyckoff, tag)

Return the value for key if key is in the dictionary, else default.

site

site positions (cartesian coordinate).

tag

point-group tag.