make_local_orbit#

libcasm.clusterography.make_local_orbit(
orbit_element: Cluster,
integral_site_coordinate_symgroup_rep: list[IntegralSiteCoordinateRep],
) → list[Cluster]#

Construct an orbit of local Cluster

Local clusters are clusters defined relative to another, phenomenal cluster. For example, the phenomenal cluster might be the cluster of sites where occupants exchange during a diffusional hop, and the local clusters are the nearby clusters of sites whose occupation changes the migration barrier for the hopping atoms.

The orbit of local Cluster is all distinct Cluster that are equivalent under the provided phenomenal symmetry group, which depends on the symmetry of the phenomenal cluster and the property of interest.

Parameters:

  • orbit_element (OccEvent) – One Cluster in the orbit

  • integral_site_coordinate_symgroup_rep (list[IntegralSiteCoordinateRep]) – Representation of the phenomenal symmetry group.

Returns:

orbit – The orbit of Cluster

Return type:

list[Cluster]