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pair_morse_opt.h
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Fri, Sep 27, 04:09
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rLAMMPS lammps
pair_morse_opt.h
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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(morse/opt,PairMorseOpt)
#else
#ifndef LMP_PAIR_MORSE_OPT_H
#define LMP_PAIR_MORSE_OPT_H
#include "pair_morse.h"
namespace LAMMPS_NS {
class PairMorseOpt : public PairMorse {
public:
PairMorseOpt(class LAMMPS *);
void compute(int, int);
private:
template < int EVFLAG, int EFLAG, int NEWTON_PAIR > void eval();
};
}
#endif
#endif
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