sarkas.utilities.maths.force_error_analytic_pp#

sarkas.utilities.maths.force_error_analytic_pp(potential_type, cutoff_length, screening_length, alpha_ewald, rescaling_const)[source]#

Calculate the short-range part of the force error from the approximation formula given in [Dharuman et al., 2017].

Parameters

  • potential_type (str) – Choice of potential.

  • cutoff_length (float) – Short range cutoff.

  • screening_length (float) – Screening length in case of screened potentials like yukawa. Pass 0 if coulomb

  • alpha_ewald (float) – Ewald screening parameter.

  • rescaling_const (float) – Constant by which to rescale the force error.

    In case of electric forces = \(Q^2/(4 \pi \epsilon_0) 1/a^2\).

Returns

pppm_pp_err (float) – Short range force error in units of rescaling_const.