/* ---------------------------------------------------------------------- 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(fourier,DihedralFourier) #else #ifndef LMP_DIHEDRAL_FOURIER_H #define LMP_DIHEDRAL_FOURIER_H #include "stdio.h" #include "dihedral.h" namespace LAMMPS_NS { class DihedralFourier : public Dihedral { public: DihedralFourier(class LAMMPS *); virtual ~DihedralFourier(); virtual void compute(int, int); void coeff(int, char **); void write_restart(FILE *); void read_restart(FILE *); protected: double **k,**cos_shift,**sin_shift,**shift; int **multiplicity; int *nterms; int implicit,weightflag; void allocate(); }; } #endif #endif