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pair_lj_long_coul_long_omp.h
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Sun, Aug 11, 14:44

pair_lj_long_coul_long_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(lj/long/coul/long/omp,PairLJLongCoulLongOMP)
#else
#ifndef LMP_PAIR_LJ_LONG_COUL_LONG_OMP_H
#define LMP_PAIR_LJ_LONG_COUL_LONG_OMP_H
#include "pair_lj_long_coul_long.h"
#include "thr_omp.h"
namespace LAMMPS_NS {
class PairLJLongCoulLongOMP : public PairLJLongCoulLong, public ThrOMP {
public:
PairLJLongCoulLongOMP(class LAMMPS *);
virtual void compute(int, int);
virtual void compute_inner();
virtual void compute_middle();
virtual void compute_outer(int, int);
virtual double memory_usage();
private:
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(int, int, ThrData * const);
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(int, int, ThrData * const);
void eval_inner(int, int, ThrData *const);
void eval_middle(int, int, ThrData *const);
};
}
#endif
#endif

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