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dihedral_multi_harmonic.h
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dihedral_multi_harmonic.h

/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
www.cs.sandia.gov/~sjplimp/lammps.html
Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories
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.
------------------------------------------------------------------------- */
#ifndef DIHEDRAL_MULTI_HARMONIC_H
#define DIHEDRAL_MULTI_HARMONIC_H
#include "stdio.h"
#include "dihedral.h"
class DihedralMultiHarmonic : public Dihedral {
public:
DihedralMultiHarmonic() {}
~DihedralMultiHarmonic();
void compute(int, int);
void coeff(int, int, char **);
void write_restart(FILE *);
void read_restart(FILE *);
private:
double *a1,*a2,*a3,*a4,*a5;
void allocate();
};
#endif

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