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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 ANGLE_CLASS
AngleStyle(fourier,AngleFourier)
#else
#ifndef ANGLE_FOURIER_H
#define ANGLE_FOURIER_H
#include "angle.h"
namespace LAMMPS_NS {
class AngleFourier : public Angle {
public:
AngleFourier(class LAMMPS *);
virtual ~AngleFourier();
virtual void compute(int, int);
void coeff(int, char **);
double equilibrium_angle(int);
void write_restart(FILE *);
void read_restart(FILE *);
void write_data(FILE *);
virtual double single(int, int, int, int);
protected:
double *k,*C0,*C1,*C2;
void allocate();
};
}
#endif
#endif