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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.
------------------------------------------------------------------------- */
#ifdef IMPROPER_CLASS
ImproperStyle(fourier,ImproperFourier)
#else
#ifndef LMP_IMPROPER_FOURIER_H
#define LMP_IMPROPER_FOURIER_H
#include "improper.h"
namespace LAMMPS_NS {
class ImproperFourier : public Improper {
public:
ImproperFourier(class LAMMPS *);
~ImproperFourier();
void compute(int, int);
void coeff(int, char **);
void write_restart(FILE *);
void read_restart(FILE *);
void write_data(FILE *);
protected:
double *k, *C0, *C1, *C2;
int *all;
void addone(const int &i1,const int &i2,const int &i3,const int &i4,
const int &type,const int &evflag,const int &eflag,
const double &vb1x, const double &vb1y, const double &vb1z,
const double &vb2x, const double &vb2y, const double &vb2z,
const double &vb3x, const double &vb3y, const double &vb3z);
void allocate();
};
}
#endif
#endif