tightbinder.disorder.change_species#

change_species(system, indices)[source]#

Routine to change the species of the atoms of the motif according to the array indices, which contains the new species for each atom of the motif.

Parameters:
  • system (SlaterKoster) – SlaterKoster object

  • indices (List[int]) – List of indices denoting the chemical species of each atom. Must have length equal to system.natoms.

Return type:

System

Returns:

Modified system.