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pair_tersoff_mod_omp.h
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Thu, Oct 17, 05:05
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text/x-c
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Sat, Oct 19, 05:05 (2 d)
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rLAMMPS lammps
pair_tersoff_mod_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
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
/* ----------------------------------------------------------------------
Contributing author: Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */
#ifdef PAIR_CLASS
PairStyle
(
tersoff
/
mod
/
omp
,
PairTersoffMODOMP
)
#else
#ifndef LMP_PAIR_TERSOFF_MOD_OMP_H
#define LMP_PAIR_TERSOFF_MOD_OMP_H
#include "pair_tersoff_mod.h"
#include "thr_omp.h"
namespace
LAMMPS_NS
{
class
PairTersoffMODOMP
:
public
PairTersoffMOD
,
public
ThrOMP
{
public:
PairTersoffMODOMP
(
class
LAMMPS
*
);
virtual
void
compute
(
int
,
int
);
virtual
double
memory_usage
();
private:
template
<
int
EVFLAG
,
int
EFLAG
,
int
VFLAG_ATOM
>
void
eval
(
int
ifrom
,
int
ito
,
ThrData
*
const
thr
);
};
}
#endif
#endif
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