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pair_eam_opt.h
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Sun, Oct 20, 19:59
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Tue, Oct 22, 19:59 (2 d)
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rLAMMPS lammps
pair_eam_opt.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(eam/opt,PairEAMOpt)
#else
#ifndef LMP_PAIR_EAM_OPT_H
#define LMP_PAIR_EAM_OPT_H
#include "pair_eam.h"
namespace LAMMPS_NS {
// use virtual public since this class is parent in multiple inheritance
class PairEAMOpt : virtual public PairEAM {
public:
PairEAMOpt(class LAMMPS *);
virtual ~PairEAMOpt() {}
void compute(int, int);
private:
template < int EVFLAG, int EFLAG, int NEWTON_PAIR > void eval();
};
}
#endif
#endif
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