39 if (dist != 0. and dist < ia_params.
hat.
r) {
40 return ia_params.
hat.
Fmax * (1.0 - dist / ia_params.
hat.
r) / dist;
47 if (dist < ia_params.
hat.
r) {
48 auto const r = ia_params.
hat.
r;
49 return ia_params.
hat.
Fmax * (dist - r) * ((dist + r) / (2.0 * r) - 1.0);
This file contains the defaults for ESPResSo.
double hat_pair_force_factor(IA_parameters const &ia_params, double dist)
Calculate hat force factor.
double hat_pair_energy(IA_parameters const &ia_params, double dist)
Calculate hat energy.
Various procedures concerning interactions between particles.
Parameters for non-bonded interactions.