#include "pair_reax_fortran.h"

#include "atom.h"

#include "update.h"

#include "domain.h"

#include "lattice.h"

#include "force.h"

#include "modify.h"

#include "compute.h"

#include "input.h"

/* ---------------------------------------------------------------------- */

void FixReaxBonds::end_of_step()

void FixReaxBonds::init()

{

  // skip if not step which requires doing something

  int ntimestep = update->ntimestep;

  if (ntimestep % nevery > 0) return;

  // output result to file

  // insure ReaxFF is defined

  OutputReaxBonds(ntimestep,fp);

  fflush(fp);

  if (force->pair_match("reax",1) == NULL)

    error->all("Cannot use fix reax/bonds without pair_style reax");

}

/* ---------------------------------------------------------------------- */

/* ----------------------------------------------------------------------

   memory usage of varatom and layer

------------------------------------------------------------------------- */

double FixReaxBonds::memory_usage()

void FixReaxBonds::end_of_step()

{

  double bytes = 0;

  return bytes;

  OutputReaxBonds(update->ntimestep,fp);

  fflush(fp);

}

/* ---------------------------------------------------------------------- */

  FixReaxBonds(class LAMMPS *, int, char **);

  ~FixReaxBonds();

  int setmask();

  void init() {}

  void init();

  void setup(int);

  void end_of_step();

  double memory_usage();

  void OutputReaxBonds(int, FILE*);

  int nint(const double&);

 private:

  int me;

  int nfreq;

  FILE *fp;

  void OutputReaxBonds(int, FILE*);

  int nint(const double&);

};

}