Reference XYZMolecule XYZMolecule.get

XYZMolecule.get

get(index)

Get an XYZCoord indexed

Parameters:

• index (str | int) –

  Either atom number, or species+species number (Molden style),

Returns:

• XYZCoord –

  Indexed XYZCoord from XYZMolecule.atoms .