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pair_vashishta_omp.h
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Sun, Sep 29, 20:11
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rLAMMPS lammps
pair_vashishta_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(vashishta/omp,PairVashishtaOMP)
#else
#ifndef LMP_PAIR_VASHISHTA_OMP_H
#define LMP_PAIR_VASHISHTA_OMP_H
#include "pair_vashishta.h"
#include "thr_omp.h"
namespace LAMMPS_NS {
class PairVashishtaOMP : public PairVashishta, public ThrOMP {
public:
PairVashishtaOMP(class LAMMPS *);
virtual void compute(int, int);
virtual double memory_usage();
private:
template <int EVFLAG, int EFLAG>
void eval(int ifrom, int ito, ThrData * const thr);
};
}
#endif
#endif
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