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pair_lj_cut_coul_debye.h
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Sun, Sep 1, 16:02
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rLAMMPS lammps
pair_lj_cut_coul_debye.h
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/* ----------------------------------------------------------------------
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(lj/cut/coul/debye,PairLJCutCoulDebye)
#else
#ifndef LMP_PAIR_LJ_CUT_COUL_DEBYE_H
#define LMP_PAIR_LJ_CUT_COUL_DEBYE_H
#include "pair_lj_cut_coul_cut.h"
namespace LAMMPS_NS {
class PairLJCutCoulDebye : public PairLJCutCoulCut {
public:
PairLJCutCoulDebye(class LAMMPS *);
virtual ~PairLJCutCoulDebye() {}
void compute(int, int);
void settings(int, char **);
void write_restart_settings(FILE *);
void read_restart_settings(FILE *);
double single(int, int, int, int, double, double, double, double &);
protected:
double kappa;
};
}
#endif
#endif
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