class ChargeScreened : public feasst::ModelTwoBody
Compute energy between two point charges, \(q_i\) and \(q_j\) with a Gaussian screening cloud as utilized by the Ewald summation.
\(U = q_i q_j \chi erfc(\alpha r)/r\)
where \(erfc\) is the complimentary error function, \(r\) is the separation distance, and \(\chi\) is the charge conversion factor assuming the following units:
Avoid Coulomb explosion by returning a large number when \(r\) is near zero.
ChargeScreened(argtype args = argtype())
hard_sphere_threshold: return NEAR_INFINITY when distance is less than this threshold (default: 0.2).
erfc_table_size: size of linearly-interpolated tabular potential (default: 0). disable table if this value is less than or equal to zero.
void precompute(const ModelParams &existing)
Precompute model parameters based on existing model parameters.
void serialize(std::ostream &ostr) const
Output a serialized version of the existing model.