write_molden

chemcoord.xyz_functions.write_molden(cartesian_list, outputfile)

Writes a list of Cartesians into a molden file.

Note

Since it permamently writes a file, this function is strictly speaking not sideeffect free. The frame to be written is of course not changed.

Parameters:

• cartesian_list (list) –
• outputfile (str) –

Returns:

Return type:

None