/* ---------------------------------------------------------------------- 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. ------------------------------------------------------------------------- */ #ifndef PAIR_RGL_H #define PAIR_RGL_H #include "pair.h" namespace LAMMPS_NS { class PairRGL : public Pair { public: PairRGL(class LAMMPS *); ~PairRGL(); void compute(int, int); void settings(int, char **); void coeff(int, char **); double init_one(int, int); void write_restart(FILE *); void read_restart(FILE *); void write_restart_settings(FILE *); void read_restart_settings(FILE *); void single(int, int, int, int, double, double, double, int, One &); protected: int nmax; double *phi; double cut_global; double **cut,**cutbsq; double **rr0,**repsilon,**rc,**rp,**rq; // double **morse1; // double **offset; void allocate(); }; } #endif