fix_temp_rescale_limit_cuda.h
fb16c0eb301blammm-master-deprecated

fix_temp_rescale_limit_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(temp/rescale/limit/cuda,FixTempRescaleLimitCuda)

			#else

			#ifndef FIX_TEMP_RESCALE_LIMIT_CUDA_H
			#define FIX_TEMP_RESCALE_LIMIT_CUDA_H

			#include "fix.h"

			namespace LAMMPS_NS {
			class FixTempRescaleLimitCuda : public Fix {
			public:
			FixTempRescaleLimitCuda(class LAMMPS , int, char *);
			~FixTempRescaleLimitCuda();
			int setmask();
			void init();
			void end_of_step();
			int modify_param(int, char **);
			void reset_target(double);
			double compute_scalar();

			private:
			class Cuda *cuda;
			int which;
			double t_start,t_stop,t_window;
			double fraction,energy,efactor;
			double limit;
			char *id_temp;
			class Compute *temperature;
			int tflag;
			};

			}

			#endif
			#endif