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fix_omp.h
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Created
Wed, Sep 4, 22:42
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2 KB
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text/x-c
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Fri, Sep 6, 22:42 (2 d)
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rLAMMPS lammps
fix_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.
------------------------------------------------------------------------- */
#ifdef FIX_CLASS
FixStyle
(
OMP
,
FixOMP
)
#else
#ifndef LMP_FIX_OMP_H
#define LMP_FIX_OMP_H
#include "fix.h"
namespace
LAMMPS_NS
{
class
ThrData
;
class
FixOMP
:
public
Fix
{
friend
class
ThrOMP
;
public:
FixOMP
(
class
LAMMPS
*
,
int
,
char
**
);
virtual
~
FixOMP
();
virtual
int
setmask
();
virtual
void
init
();
virtual
void
pre_force
(
int
);
virtual
void
setup_pre_force
(
int
vflag
)
{
pre_force
(
vflag
);
};
virtual
void
min_setup_pre_force
(
int
vflag
)
{
pre_force
(
vflag
);
};
virtual
void
min_pre_force
(
int
vflag
)
{
pre_force
(
vflag
);
};
virtual
void
setup_pre_force_respa
(
int
vflag
,
int
)
{
pre_force
(
vflag
);
};
virtual
void
pre_force_respa
(
int
vflag
,
int
,
int
)
{
pre_force
(
vflag
);
};
virtual
double
memory_usage
();
ThrData
*
get_thr
(
int
tid
)
{
return
thr
[
tid
];
};
int
get_nthr
()
const
{
return
_nthr
;
}
protected:
ThrData
**
thr
;
void
*
last_omp_style
;
// pointer to the style that needs
// to do the general force reduction
void
*
last_pair_hybrid
;
// pointer to the pair style that needs
// to call virial_fdot_compute()
public:
bool
get_neighbor
()
const
{
return
_neighbor
;};
bool
get_newton
()
const
{
return
_newton
;};
private:
int
_nthr
;
// number of currently active ThrData object
bool
_neighbor
;
// en/disable threads for neighbor list construction
bool
_newton
;
// en/disable newton's 3rd law for local atoms.
void
set_neighbor_omp
();
};
}
#endif
#endif
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