orgdisord.enumerate.select_configs#

orgdisord.enumerate.select_configs(config, supercell, maxgroups)[source]#

from the supercell config, return indices of each component primitive cell e.g. a 2x2x1 supercell of a Z=4 system would have configs of length 16. This function chunks them into 4 sets of 4 and returns the integer representation (0-15) of each ‘binary’ number. So for example: [1,1,1,1, 0,0,0,0, 1,1,0,0, 0,0,0,1] would return [15, 0, 12, 1]