fix_nvt_kokkos.h
889065b70e5dlammm-master

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.

			*/