fix_dpd_energy_kokkos.h
e0021a3ff517lammm-devel

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.

			*/