add_point_charges_fourier#
- abtem.potentials.charge_density.add_point_charges_fourier(array, atoms, broadening=0.0)[source]#
Add the nuclear point charges in Reciprocal space.
- Parameters:
array (np.ndarray) – Array representing 3D charge density to which the point charges are added.
atoms (ase.Atoms) – Atoms from which the nuclear charges with magnitudes and positions are determined.
broadening (float) – Gaussian broadening of the point charges (default is 0.0).
- Returns:
density – 3D charge density with added nuclear charges in reciprocal space.
- Return type:
np.ndarray