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fix_temp_rescale_cuda.h
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Fri, Jul 5, 23:54
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rLAMMPS lammps
fix_temp_rescale_cuda.h
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/* -*- c++ -*- ----------------------------------------------------------
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/cuda,FixTempRescaleCuda)
#else
#ifndef FIX_TEMP_RESCALE_CUDA_H
#define FIX_TEMP_RESCALE_CUDA_H
#include "fix.h"
namespace LAMMPS_NS {
class FixTempRescaleCuda : public Fix {
public:
FixTempRescaleCuda(class LAMMPS *, int, char **);
~FixTempRescaleCuda();
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;
char *id_temp;
class Compute *temperature;
int tflag;
};
}
#endif
#endif
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