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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 DIHEDRAL_CLASS
DihedralStyle(quadratic,DihedralQuadratic)
#else
#ifndef LMP_DIHEDRAL_QUADRATIC_H
#define LMP_DIHEDRAL_QUADRATIC_H
#include "dihedral.h"
namespace LAMMPS_NS {
class DihedralQuadratic : public Dihedral {
public:
DihedralQuadratic(class LAMMPS *);
~DihedralQuadratic();
void compute(int, int);
void coeff(int, char **);
void write_restart(FILE *);
void read_restart(FILE *);
void write_data(FILE *);
protected:
double *k,*phi0;
int *sign,*multiplicity;
void allocate();
};
}
#endif
#endif