molecule.plot_dipole_moment#

molecule.plot_dipole_moment(opacity=0.8, factor=1, opacity_radius=1, factor_radius=.3, cutoff=.2, screenshot_button=True, window_size_screenshot=(1000, 1000))#

Plots the electric and magnetic dipole moments of a molecule. Data has to be extracted from an orca TDDFT calculation using rgmol.extract_orca.extract_transition.

Parameters:

  • opacity (float, optional) – The opacity of the arrow. By default .5

  • factor (float, optional) – The factor by which the norm of the arrow is multiplied. By default 1

  • opacity_radius (float, optional) – The opacity of the radius plot. By default .8

  • factor_radius (float, optional) – The factor by which the radius will be multiplied. By default .3

  • cutoff (float, optional) – The initial cutoff of the isodensity plot. By default .2

  • screenshot_button (bool, optional) – Adds a screenshot button. True by default

  • window_size_screenshot (tuple, optional) – The size of the screenshots. By default (1000,1000)

Returns:

None – The plotter should display when using this function