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pair_lj96_cut_cuda.h
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Thu, Aug 22, 03:46
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text/x-c
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Sat, Aug 24, 03:46 (1 d, 23 h)
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rLAMMPS lammps
pair_lj96_cut_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 PAIR_CLASS
PairStyle
(
lj96
/
cut
/
cuda
,
PairLJ96CutCuda
)
#else
#ifndef PAIR_LJ96_CUT_CUDA_H
#define PAIR_LJ96_CUT_CUDA_H
#include "pair_lj96_cut.h"
namespace
LAMMPS_NS
{
class
PairLJ96CutCuda
:
public
PairLJ96Cut
{
public:
PairLJ96CutCuda
(
class
LAMMPS
*
);
void
compute
(
int
,
int
);
void
settings
(
int
,
char
**
);
void
coeff
(
int
,
char
**
);
void
init_list
(
int
,
class
NeighList
*
);
void
init_style
();
void
ev_setup
(
int
eflag
,
int
vflag
);
protected:
class
Cuda
*
cuda
;
void
allocate
();
bool
allocated2
;
class
CudaNeighList
*
cuda_neigh_list
;
};
}
#endif
#endif
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