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fix_reaxc_bonds_kokkos.h
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Wed, Nov 6, 16:16

fix_reaxc_bonds_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/bonds/kk,FixReaxCBondsKokkos)
FixStyle(reax/c/bonds/kk/device,FixReaxCBondsKokkos)
FixStyle(reax/c/bonds/kk/host,FixReaxCBondsKokkos)
#else
#ifndef LMP_FIX_REAXC_BONDS_KOKKOS_H
#define LMP_FIX_REAXC_BONDS_KOKKOS_H
#include "fix_reaxc_bonds.h"
#include "kokkos_type.h"
namespace LAMMPS_NS {
class FixReaxCBondsKokkos : public FixReaxCBonds {
public:
FixReaxCBondsKokkos(class LAMMPS *, int, char **);
virtual ~FixReaxCBondsKokkos();
void init();
private:
int nbuf;
void Output_ReaxC_Bonds(bigint, FILE *);
double memory_usage();
};
}
#endif
#endif

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