/* ---------------------------------------------------------------------- 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 PAIR_CLASS PairStyle(soft,PairSoft) #else #ifndef LMP_PAIR_SOFT_H #define LMP_PAIR_SOFT_H #include "pair.h" namespace LAMMPS_NS { class PairSoft : public Pair { friend class Pair; public: PairSoft(class LAMMPS *); ~PairSoft(); 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 *); int pre_adapt(char *, int, int, int, int); void adapt(int, int, int, int, int, double); double single(int, int, int, int, double, double, double, double &); private: double PI; double cut_global; double **prefactor; double **cut; void allocate(); }; } #endif #endif