fix_set_force_cuda.h
2ea09945bfe4lammm-master

fix_set_force_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 FIX_CLASS

			FixStyle(setforce/cuda,FixSetForceCuda)

			#else

			#ifndef LMP_FIX_SET_FORCE_CUDA_H
			#define LMP_FIX_SET_FORCE_CUDA_H

			#include "fix.h"
			#include "cuda_data.h"

			namespace LAMMPS_NS {

			class FixSetForceCuda : public Fix {
			public:
			FixSetForceCuda(class LAMMPS , int, char *);
			int setmask();
			void init();
			void setup(int);
			void min_setup(int);
			void post_force(int);
			void post_force_respa(int, int, int);
			void min_post_force(int);
			double compute_vector(int);

			private:
			class Cuda *cuda;
			int flagx,flagy,flagz;
			double xvalue,yvalue,zvalue;
			double foriginal[3],foriginal_all[3];
			cCudaData<double , F_FLOAT , x>* cu_foriginal;
			int force_flag;
			int nlevels_respa;
			};

			}

			#endif
			#endif