/* -*- 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 #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