vaspparser.vasp.structure.vasp_sorter#
- vaspparser.vasp.structure.vasp_sorter(structure: Atoms) ndarray[source]#
Routine to sort the indices of a structure as it would be when written to a POSCAR file
- Parameters:
structure (pyiron.atomistics.structure.atoms.Atoms) – The structure whose indices need to be sorted
- Returns:
A list of indices which is sorted by the corresponding species for writing to POSCAR
- Return type:
list