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fix_set_force_cuda.h
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Created
Fri, Aug 30, 01:16
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1 KB
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text/x-c
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Sun, Sep 1, 01:16 (2 d)
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blob
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20287230
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rLAMMPS lammps
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
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