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pair_lj_charmm_coul_long_gpu2.h
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Created
Sat, Nov 16, 11:57
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1 KB
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text/x-c
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Mon, Nov 18, 11:57 (1 d, 23 h)
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rLAMMPS lammps
pair_lj_charmm_coul_long_gpu2.h
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/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
certain rights in this software. This software is distributed under
the GNU General Public License.
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifdef PAIR_CLASS
PairStyle
(
lj
/
charmm
/
coul
/
long
/
gpu2
,
PairLJCharmmCoulLongGPU2
)
#else
#ifndef LMP_PAIR_LJ_CHARMM_COUL_LONG_GPU2_H
#define LMP_PAIR_LJ_CHARMM_COUL_LONG_GPU2_H
#include "pair_lj_charmm_coul_long.h"
namespace
LAMMPS_NS
{
class
PairLJCharmmCoulLongGPU2
:
public
PairLJCharmmCoulLong
{
public:
PairLJCharmmCoulLongGPU2
(
LAMMPS
*
lmp
);
~
PairLJCharmmCoulLongGPU2
();
void
cpu_compute
(
int
,
int
,
int
,
int
,
int
*
,
int
*
,
int
**
);
void
compute
(
int
,
int
);
void
init_style
();
double
memory_usage
();
enum
{
GPU_PAIR
,
GPU_NEIGH
};
private:
int
gpu_mode
;
double
cpu_time
;
int
*
gpulist
;
};
}
#endif
#endif
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