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pair_lj_long_coul_long_opt.h
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Sat, Nov 16, 02:53

pair_lj_long_coul_long_opt.h

/* ----------------------------------------------------------------------
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/long/coul/long/opt,PairLJLongCoulLongOpt)
#else
#ifndef LMP_PAIR_LJ_LONG_COUL_LONG_OPT_H
#define LMP_PAIR_LJ_LONG_COUL_LONG_OPT_H
#include "pair_lj_long_coul_long.h"
namespace LAMMPS_NS {
class PairLJLongCoulLongOpt : public PairLJLongCoulLong {
public:
PairLJLongCoulLongOpt(class LAMMPS *);
virtual void compute(int, int);
virtual void compute_outer(int,int);
protected:
template <const int EVFLAG, const int EFLAG,
const int NEWTON_PAIR, const int CTABLE, const int LJTABLE,
const int ORDER1, const int ORDER6 >
void eval();
template <const int EVFLAG, const int EFLAG,
const int NEWTON_PAIR, const int CTABLE, const int LJTABLE,
const int ORDER1, const int ORDER6 >
void eval_outer();
};
}
#endif
#endif

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