local_orbits_sites#

property LocalOrbitCompositionCalculator.local_orbits_sites#

The sets of uniques sites used in the calculation

Returns:

local_orbits_sites – The unique sites in the orbits_to_calculate, where orbits[e][i][j] is the j-th site in the i-th set of sites, for the e-th equivalent phenomenal cluster. If combine_orbits is True, then all sites are combined into the same set of sites and i only takes value 0; if False, then i is an index into orbits_to_calculate.

Return type:

list[list[list[IntegralSiteCoordinate]]]