21#ifndef CORE_NB_IA_LJGEN_HPP
22#define CORE_NB_IA_LJGEN_HPP
41#ifdef LENNARD_JONES_GENERIC
62 r_off = std::abs(r_off);
64 auto const frac = ia_params.
ljgen.
sig / r_off;
73 pow(frac, ia_params.
ljgen.
a2)) /
90 r_off = std::abs(r_off);
92 auto const frac = ia_params.
ljgen.
sig / r_off;
Vector implementation and trait types for boost qvm interoperability.
This file contains the defaults for ESPResSo.
double ljgen_pair_force_factor(IA_parameters const &ia_params, double dist)
Calculate Lennard-Jones force factor.
double ljgen_pair_energy(IA_parameters const &ia_params, double dist)
Calculate Lennard-Jones energy.
DEVICE_QUALIFIER constexpr T sqr(T x)
Calculates the SQuaRe of x.
Various procedures concerning interactions between particles.
Parameters for non-bonded interactions.
double max_cutoff() const