Reference XYZMolecule XYZMolecule.to_orca

XYZMolecule.to_orca

to_orca(filename)

Write XYZMolecule object to .orca file.

Parameters:

• filename (str) –

  Name of .orca file that will be created.

Returns:

• .orca file containing XYZMolecule object. –