Reference XYZMolecule XYZMolecule.to_turbomole

XYZMolecule.to_turbomole

to_turbomole(filename)

Write XYZMolecule object to .turbomole file.

Parameters:

• filename (str) –

  Name of .turbomole file that will be created.

Returns:

• .turbomole file containing XYZMolecule object. –