fix reax/c/species/omp doesn't is not needed anymore

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

   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: Ray Shan (Sandia, tnshan@sandia.gov)

   			 Oleg Sergeev (VNIIA, sergeev@vniia.ru)

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

#include "lmptype.h"

#include "stdlib.h"

#include "math.h"

#include "atom.h"

#include "string.h"

#include "fix_ave_atom.h"

#include "fix_reaxc_species_omp.h"

#include "domain.h"

#include "update.h"

#include "pair_reaxc_omp.h"

#include "modify.h"

#include "neighbor.h"

#include "neigh_list.h"

#include "neigh_request.h"

#include "comm.h"

#include "force.h"

#include "compute.h"

#include "input.h"

#include "variable.h"

#include "memory.h"

#include "error.h"

#include "reaxc_list.h"

using namespace LAMMPS_NS;

using namespace FixConst;

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

FixReaxCSpeciesOMP::FixReaxCSpeciesOMP(LAMMPS *lmp, int narg, char **arg) :

  FixReaxCSpecies(lmp, narg, arg)

{

}

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

void FixReaxCSpeciesOMP::init()

{

  if (atom->tag_enable == 0)

    error->all(FLERR,"Cannot use fix reax/c/species unless atoms have IDs");

  reaxc = (PairReaxCOMP *) force->pair_match("reax/c/omp",1);

  if (reaxc == NULL) error->all(FLERR,"Cannot use fix reax/c/species/omp without "

		  "pair_style reax/c/omp");

  reaxc->fixspecies_flag = 1;

  nvalid = update->ntimestep+nfreq;

  // check if this fix has been called twice

  int count = 0;

  for (int i = 0; i < modify->nfix; i++)

    if (strcmp(modify->fix[i]->style,"reax/c/species/omp") == 0) count++;

  if (count > 1 && comm->me == 0)

    error->warning(FLERR,"More than one fix reax/c/species");

  if (!setupflag) {

    // create a compute to store properties

    create_compute();

    // create a fix to point to fix_ave_atom for averaging stored properties

    create_fix();

    setupflag = 1;

  }

}

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

   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(reax/c/species/omp,FixReaxCSpeciesOMP)

#else

#ifndef LMP_FIX_REAXC_SPECIES_OMP_H

#define LMP_FIX_REAXC_SPECIES_OMP_H

#include "pair_reaxc_omp.h"

#include "fix_reaxc_species.h"

#define BUFLEN 1000

namespace LAMMPS_NS {

  class FixReaxCSpeciesOMP : public FixReaxCSpecies {

  public:

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

    ~FixReaxCSpeciesOMP(){};

    virtual void init();

  private:

    class PairReaxCOMP *reaxc;

  };

}

#endif

#endif