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F90985478
fix_reaxc_bonds_kokkos.h
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Created
Wed, Nov 6, 16:16
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1 KB
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text/x-c
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Fri, Nov 8, 16:16 (2 d)
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blob
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rLAMMPS lammps
fix_reaxc_bonds_kokkos.h
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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.
------------------------------------------------------------------------- */
#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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