/* -*- 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 FIX_CLASS FixStyle(SRP,FixSRP) #else #ifndef LMP_FIX_SRP_H #define LMP_FIX_SRP_H #include <cstdio> #include "fix.h" namespace LAMMPS_NS { class FixSRP : public Fix { public: FixSRP(class LAMMPS *, int, char **); ~FixSRP(); int setmask(); void init(); void pre_exchange(); void setup_pre_force(int); double memory_usage(); void grow_arrays(int); void copy_arrays(int, int, int); void set_arrays(int); int pack_exchange(int, double *); int unpack_exchange(int, double *); int pack_border(int, int *, double *); int unpack_border(int, int, double *); void post_run(); int pack_restart(int, double*); void unpack_restart(int, int); int maxsize_restart(); int size_restart(int); void write_restart(FILE *); void restart(char *); int modify_param(int, char **); double **array; private: int btype; int bptype; }; } #endif #endif /* ERROR/WARNING messages: */