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lammps/src/USER-OMP/improper_fourier_omp.h
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improper_fourier_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 IMPROPER_CLASS
ImproperStyle(fourier/omp,ImproperFourierOMP)
#else
#ifndef LMP_IMPROPER_FOURIER_OMP_H
#define LMP_IMPROPER_FOURIER_OMP_H
#include "improper_fourier.h"
#include "thr_omp.h"
namespace LAMMPS_NS {
class ImproperFourierOMP : public ImproperFourier, public ThrOMP {
public:
ImproperFourierOMP(class LAMMPS *lmp);
virtual void compute(int, int);
private:
template <int EVFLAG, int EFLAG, int NEWTON_BOND>
void eval(int ifrom, int ito, ThrData * const thr);
template <int EVFLAG, int EFLAG, int NEWTON_BOND>
void add1_thr(const int,const int,const int,const int,const int,
const double &, const double &, const double &,
const double &, const double &, const double &,
const double &, const double &, const double &,
ThrData * const thr);
};
}
#endif
#endif
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