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fix_temp_berendsen_cuda.h
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Created
Sat, Oct 5, 00:55
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1 KB
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text/x-c
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Mon, Oct 7, 00:55 (1 d, 21 h)
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rLAMMPS lammps
fix_temp_berendsen_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
/
berendsen
/
cuda
,
FixTempBerendsenCuda
)
#else
#ifndef LMP_FIX_TEMP_BERENDSEN_CUDA_H
#define LMP_FIX_TEMP_BERENDSEN_CUDA_H
#include "fix.h"
namespace
LAMMPS_NS
{
class
FixTempBerendsenCuda
:
public
Fix
{
public:
FixTempBerendsenCuda
(
class
LAMMPS
*
,
int
,
char
**
);
~
FixTempBerendsenCuda
();
int
setmask
();
void
init
();
void
end_of_step
();
int
modify_param
(
int
,
char
**
);
void
reset_target
(
double
);
private:
class
Cuda
*
cuda
;
int
which
;
double
t_start
,
t_stop
,
t_target
,
t_period
;
char
*
id_temp
;
class
Compute
*
temperature
;
int
tflag
;
};
}
#endif
#endif
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