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fix_reaxc_species_kokkos.h
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Sun, May 26, 07:16

fix_reaxc_species_kokkos.h

/* -*- 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(reax/c/species/kk,FixReaxCSpeciesKokkos)
#else
#ifndef LMP_FIX_REAXC_SPECIES_KOKKOS_H
#define LMP_FIX_REAXC_SPECIES_KOKKOS_H
#include "fix_reaxc_species.h"
#define BUFLEN 1000
namespace LAMMPS_NS {
class FixReaxCSpeciesKokkos : public FixReaxCSpecies {
public:
FixReaxCSpeciesKokkos(class LAMMPS *, int, char **);
virtual ~FixReaxCSpeciesKokkos();
void init();
private:
void FindMolecule();
};
}
#endif
#endif

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