get_intensities_params#

diffsims.utils.sim_utils.get_intensities_params(reciprocal_lattice, reciprocal_radius)[source]#

Calculates the variables needed for get_kinematical_intensities

Parameters:
  • reciprocal_lattice (diffpy.Structure.Lattice) – The reciprocal crystal lattice for the structure of interest.

  • reciprocal_radius (float) – The radius of the sphere in reciprocal space (units of reciprocal Angstroms) within which reciprocal lattice points are returned.

Returns:

  • unique_hkls (array-like) – The unique plane families which lie in the given reciprocal sphere.

  • multiplicites (array-like) – The multiplicites of the given unqiue planes in the sphere.

  • g_hkls (list) – The g vector length of the given hkl in the sphere.