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fix_dpd_energy_kokkos.h
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Wed, Nov 13, 13:26
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rLAMMPS lammps
fix_dpd_energy_kokkos.h
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/* ----------------------------------------------------------------------
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
(
dpd
/
energy
/
kk
,
FixDPDenergyKokkos
<
LMPDeviceType
>
)
FixStyle
(
dpd
/
energy
/
kk
/
device
,
FixDPDenergyKokkos
<
LMPDeviceType
>
)
FixStyle
(
dpd
/
energy
/
kk
/
host
,
FixDPDenergyKokkos
<
LMPHostType
>
)
#else
#ifndef LMP_FIX_DPDE_KOKKOS_H
#define LMP_FIX_DPDE_KOKKOS_H
#include "fix_dpd_energy.h"
#include "pair_dpd_fdt_energy_kokkos.h"
namespace
LAMMPS_NS
{
template
<
typename
DeviceType
>
class
FixDPDenergyKokkos
:
public
FixDPDenergy
{
public:
FixDPDenergyKokkos
(
class
LAMMPS
*
,
int
,
char
**
);
virtual
~
FixDPDenergyKokkos
()
{}
virtual
void
initial_integrate
(
int
);
virtual
void
final_integrate
();
void
take_half_step
();
protected:
PairDPDfdtEnergyKokkos
<
DeviceType
>*
pairDPDEKK
;
};
}
#endif
#endif
/* ERROR/WARNING messages:
E: Must use pair_style dpd/fdt/energy/kk with fix dpd/energy/kk
Self-explanatory.
*/
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