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pair_morse_omp.h
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Thu, Nov 7, 19:53
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Sat, Nov 9, 19:53 (2 d)
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rLAMMPS lammps
pair_morse_omp.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.
------------------------------------------------------------------------- */
/* ----------------------------------------------------------------------
Contributing author: Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */
#ifdef PAIR_CLASS
PairStyle(morse/omp,PairMorseOMP)
#else
#ifndef LMP_PAIR_MORSE_OMP_H
#define LMP_PAIR_MORSE_OMP_H
#include "pair_morse.h"
#include "thr_omp.h"
namespace LAMMPS_NS {
class PairMorseOMP : public PairMorse, public ThrOMP {
public:
PairMorseOMP(class LAMMPS *);
virtual void compute(int, int);
virtual double memory_usage();
private:
template <int EVFLAG, int EFLAG, int NEWTON_PAIR>
void eval(int ifrom, int ito, ThrData * const thr);
};
}
#endif
#endif
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