Dipole Moments

Electric and magnetic dipole moment can be extracted and visualize using rgmol. These moments can be extracted from an Orca TDDFT calculation output.

The following code extracts and plots the moments

import rgmol
import rgmol.examples

file = rgmol.examples.molden_CHFClBr
mol = rgmol.extract_molden.extract(file,do_find_bonds=1)
rgmol.extract_orca.extract_transition(rgmol.examples.orca_CHFClBr,mol=mol)

mol.plot_dipole_moment(factor=5)