sarkas.processes.PreProcess.make_pppm_color_map#

PreProcess.make_pppm_color_map(rcuts, alphas, chosen_alpha, chosen_rcut, total_force_error)[source]#

Plot a color map of the total force error approximation.

Parameters

  • rcuts (numpy.ndarray) – Cut off distances.

  • alphas (numpy.ndarray) – Ewald parameters.

  • chosen_alpha (float) – Chosen Ewald parameter.

  • chosen_rcut (float) – Chosen cut off radius.

  • total_force_error (numpy.ndarray) – Force error matrix.