pele.systems.LJCluster.get_pgorder

LJCluster.get_pgorder(coords)

return the point group order of the configuration

Returns:

pgorderint

See also

pele.mindist

Notes

This is a measure of the symmetry of a configuration. It is used in calculating the thermodynamic weight of a minimum. Most configurations will have pgorder 1, but some highly symmetric minima will have higher orders. Routines to compute the point group order are in module mindist. If your system has not symmetries you can just return 1.