Computes powder diffraction pattern based on a CFL or a CIF file. Powder diffraction simulation conditions are editable through a Python class. current simulation conditions are:

  • lambda
  • u_resolution
  • v_resolution
  • w_resolution
  • x_resolution
  • theta_min
  • theta_step,
  • theta_max,
  • job type (x-rays or neutrons)
  • lorentzian_size,
  • background

Does not work for too large computations (e.g Si_Laue.cfl) on Windows