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/* -*- 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