structuretoolkit.common.helper.select_index

Contents

structuretoolkit.common.helper.select_index#

structuretoolkit.common.helper.select_index(structure: Atoms, element: str) ndarray[source]#

Select the indices of atoms in the structure that have a specific element.

Parameters:
  • structure (ase.atoms.Atoms) – The atomic structure.

  • element (str) – The element symbol.

Returns:

The indices of atoms with the specified element.

Return type:

numpy.ndarray