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pair_lj_class2_coul_long_proxy_omp.h
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Sat, Sep 14, 10:25
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Mon, Sep 16, 10:25 (2 d)
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rLAMMPS lammps
pair_lj_class2_coul_long_proxy_omp.h
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/* -*- c++ -*- ----------------------------------------------------------
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.
------------------------------------------------------------------------- */
/* ----------------------------------------------------------------------
Contributing author: Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */
#ifdef PAIR_CLASS
PairStyle
(
lj
/
class2
/
coul
/
long
/
proxy
/
omp
,
PairLJClass2CoulLongProxyOMP
)
#else
#ifndef LMP_PAIR_LJ_CLASS2_COUL_LONG_PROXY_OMP_H
#define LMP_PAIR_LJ_CLASS2_COUL_LONG_PROXY_OMP_H
#include "pair_lj_class2_coul_long.h"
#include "thr_omp.h"
namespace
LAMMPS_NS
{
class
PairLJClass2CoulLongProxyOMP
:
public
PairLJClass2CoulLong
,
public
ThrOMP
{
public:
PairLJClass2CoulLongProxyOMP
(
class
LAMMPS
*
);
virtual
~
PairLJClass2CoulLongProxyOMP
()
{};
virtual
void
init_style
();
virtual
void
compute
(
int
,
int
);
virtual
double
memory_usage
();
private:
template
<
int
EVFLAG
,
int
EFLAG
,
int
NEWTON_PAIR
>
void
eval
(
int
ifrom
,
int
ito
,
ThrData
*
const
thr
);
class
PPPMProxy
*
kspace
;
int
nproxy
;
};
}
#endif
#endif
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