pyiron_atomistics.atomistics.structure.pyscal.analyse_centro_symmetry

pyiron_atomistics.atomistics.structure.pyscal.analyse_centro_symmetry#

pyiron_atomistics.atomistics.structure.pyscal.analyse_centro_symmetry(structure, num_neighbors=12)[source]#

Analyse centrosymmetry parameter

Parameters:
  • structure – Atoms object

  • num_neighbors (int) – number of neighbors

Returns:

list of centrosymmetry parameter

Return type:

csm (list)