pair_lj_expand_cuda.h
fb16c0eb301blammm-master

pair_lj_expand_cuda.h
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			/* ----------------------------------------------------------------------
			LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator

			Original Version:
			http://lammps.sandia.gov, Sandia National Laboratories
			Steve Plimpton, sjplimp@sandia.gov

			See the README file in the top-level LAMMPS directory.

			-----------------------------------------------------------------------

			USER-CUDA Package and associated modifications:
			https://sourceforge.net/projects/lammpscuda/

			Christian Trott, christian.trott@tu-ilmenau.de
			Lars Winterfeld, lars.winterfeld@tu-ilmenau.de
			Theoretical Physics II, University of Technology Ilmenau, Germany

			See the README file in the USER-CUDA directory.

			This software is distributed under the GNU General Public License.
			------------------------------------------------------------------------- */

			#ifdef PAIR_CLASS

			PairStyle(lj/expand/cuda,PairLJExpandCuda)

			#else

			#ifndef PAIR_LJ_EXPAND_CUDA_H
			#define PAIR_LJ_EXPAND_CUDA_H

			#include "pair_lj_expand.h"

			namespace LAMMPS_NS {

			class PairLJExpandCuda : public PairLJExpand
			{
			public:
			PairLJExpandCuda(class LAMMPS *);
			void compute(int, int);
			void settings(int, char **);
			void coeff(int, char **);
			void init_list(int, class NeighList *);
			void init_style();
			void ev_setup(int eflag, int vflag);
			protected:
			class Cuda *cuda;
			void allocate();
			bool allocated2;
			class CudaNeighList* cuda_neigh_list;
			};

			}

			#endif
			#endif