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/* -*- c++ -*- ----------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
certain rights in this software. This software is distributed under
the GNU General Public License.
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifdef PAIR_CLASS
PairStyle(coul/diel,PairCoulDiel)
#else
#ifndef LMP_PAIR_COUL_DIEL_H
#define LMP_PAIR_COUL_DIEL_H
#include "pair.h"
namespace LAMMPS_NS {
class PairCoulDiel : public Pair {
public:
PairCoulDiel(class LAMMPS *);
virtual ~PairCoulDiel();
virtual void compute(int, int);
virtual void settings(int, char **);
virtual void coeff(int, char **);
virtual void init_style();
virtual double init_one(int, int);
virtual void write_restart(FILE *);
virtual void read_restart(FILE *);
virtual void write_restart_settings(FILE *);
virtual void read_restart_settings(FILE *);
virtual double single(int, int, int, int, double, double, double, double &);
protected:
double cut_global;
double **cut;
double **sigmae, **rme, **offset;
double a_eps, b_eps, eps_s;
void allocate();
};
}
#endif
#endif