41 if (dist < ia_params.
wca.
cut) {
42 auto const frac6 = Utils::int_pow<6>(ia_params.
wca.
sig / dist);
43 return 48.0 * ia_params.
wca.
eps * frac6 * (frac6 - 0.5) / (dist * dist);
50 if (dist < ia_params.
wca.
cut) {
51 auto const frac6 = Utils::int_pow<6>(ia_params.
wca.
sig / dist);
Vector implementation and trait types for boost qvm interoperability.
This file contains the defaults for ESPResSo.
DEVICE_QUALIFIER constexpr T sqr(T x)
Calculates the SQuaRe of x.
Various procedures concerning interactions between particles.
Parameters for non-bonded interactions.
double wca_pair_energy(IA_parameters const &ia_params, double dist)
Calculate WCA energy.
double wca_pair_force_factor(IA_parameters const &ia_params, double dist)
Calculate WCA force factor.