/* -*- 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. ------------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- Contributing authors: Yair Augusto Gutiérrez Fosado Davide Michieletto ------------------------------------------------------------------------- */ #ifdef FIX_CLASS FixStyle(topoII,FixTopo2) #else #ifndef LMP_FIX_MCSWAP_H #define LMP_FIX_MCSWAP_H #include "fix.h" #include "pair.h" namespace LAMMPS_NS { class FixTopo2 : public Fix { public: FixTopo2(class LAMMPS *, int, char **); ~FixTopo2(); int setmask(); void init(); void post_integrate(); int *select; int *beads; void write_restart(FILE *); void restart(char *); int randomid(); int maxdensid(int); int maxcurvid(int); double pmove(); void changetype(); void placetopo(int); private: int *alist; int flagtopo; int nevery; int seed; double prob; int ntopo; int ltopo; int topotype; int tsteptopo; int intertype; class NeighList *list; class RanPark *random_equal; class RanPark *random_unequal; class RanMars *random; }; } #endif #endif