molecule.plot_atomic_grid#

molecule.plot_atomic_grid(N_r_list=None, d_leb_list=None, zeta_list=None, alpha_list=None, opacity=0.5)#

Do a plot of the grid of the molecule, each point of the grid is represented as a point. The color of each point is the same as the atom that is at the center of the atomic grid For more information on the grids, please check here

Parameters:

  • N_r_list (list) – The number of radial points that will be taken for each atom repectively

  • d_leb_list (list) – The degree of the Lebedev quadrature that will be taken for each atom respectively

  • zeta_list (list) – The zeta parameter that will be taken for each atom repectively

  • alpha_list (list) – The alpha parameter that will be taken for each atom repectively

Returns:

None – The plotter will show