verlet_kokkos.h
f3716023e16alammm-master

verlet_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 INTEGRATE_CLASS

			IntegrateStyle(verlet/kk,VerletKokkos)

			#else

			#ifndef LMP_VERLET_KOKKOS_H
			#define LMP_VERLET_KOKKOS_H

			#include "verlet.h"
			#include "kokkos_type.h"

			namespace LAMMPS_NS {

			class VerletKokkos : public Verlet {
			public:
			VerletKokkos(class LAMMPS , int, char *);
			~VerletKokkos() {}
			void setup();
			void setup_minimal(int);
			void run(int);

			KOKKOS_INLINE_FUNCTION
			void operator() (const int& i) const {
			f(i,0) += f_merge_copy(i,0);
			f(i,1) += f_merge_copy(i,1);
			f(i,2) += f_merge_copy(i,2);
			}


			protected:
			DAT::t_f_array f_merge_copy,f;

			void force_clear();
			};

			}

			#endif
			#endif

			/* ERROR/WARNING messages:

			*/