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lammps/src/USER-OMP/pair_lj_cut_tip4p_long_proxy_omp.h
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pair_lj_cut_tip4p_long_proxy_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/cut/tip4p/long/proxy/omp,PairLJCutTIP4PLongProxyOMP)
#else
#ifndef LMP_PAIR_LJ_CUT_TIP4P_LONG_PROXY_OMP_H
#define LMP_PAIR_LJ_CUT_TIP4P_LONG_PROXY_OMP_H
#include "pair_lj_cut_tip4p_long.h"
#include "thr_omp.h"
namespace LAMMPS_NS {
class PairLJCutTIP4PLongProxyOMP :
public PairLJCutTIP4PLong, public ThrOMP {
public:
PairLJCutTIP4PLongProxyOMP(class LAMMPS *);
virtual ~PairLJCutTIP4PLongProxyOMP() {};
virtual void init_style();
virtual void compute(int, int);
virtual double memory_usage();
private:
template <int, int, int, int>
void eval(int ifrom, int ito, ThrData * const thr);
void compute_newsite_thr(const double *, const double *,
const double *, double *) const;
class PPPMTIP4PProxy *kspace;
int nproxy;
};
}
#endif
#endif
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