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fix_nvt_kokkos.h
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Sun, Nov 10, 13:29
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rLAMMPS lammps
fix_nvt_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
(
nvt
/
kk
,
FixNVTKokkos
<
LMPDeviceType
>
)
FixStyle
(
nvt
/
kk
/
device
,
FixNVTKokkos
<
LMPDeviceType
>
)
FixStyle
(
nvt
/
kk
/
host
,
FixNVTKokkos
<
LMPHostType
>
)
#else
#ifndef LMP_FIX_NVT_KOKKOS_H
#define LMP_FIX_NVT_KOKKOS_H
#include "fix_nh_kokkos.h"
namespace
LAMMPS_NS
{
template
<
class
DeviceType
>
class
FixNVTKokkos
:
public
FixNHKokkos
<
DeviceType
>
{
public:
FixNVTKokkos
(
class
LAMMPS
*
,
int
,
char
**
);
~
FixNVTKokkos
()
{}
};
}
#endif
#endif
/* ERROR/WARNING messages:
E: Temperature control must be used with fix nvt
Self-explanatory.
E: Pressure control can not be used with fix nvt
Self-explanatory.
*/
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