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fix_nvt_kokkos.h
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Sun, Nov 10, 13:45
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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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