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pair_dpd_omp.h
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Sun, Oct 20, 02:03
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rLAMMPS lammps
pair_dpd_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 PAIR_CLASS
PairStyle
(
dpd
/
omp
,
PairDPDOMP
)
#else
#ifndef LMP_PAIR_DPD_OMP_H
#define LMP_PAIR_DPD_OMP_H
#include "pair_omp.h"
namespace
LAMMPS_NS
{
class
PairDPDOMP
:
public
PairOMP
{
public:
PairDPDOMP
(
class
LAMMPS
*
);
virtual
~
PairDPDOMP
();
virtual
void
compute
(
int
,
int
);
virtual
void
settings
(
int
,
char
**
);
virtual
void
coeff
(
int
,
char
**
);
virtual
void
init_style
();
virtual
double
init_one
(
int
,
int
);
virtual
void
write_restart
(
FILE
*
);
virtual
void
read_restart
(
FILE
*
);
virtual
void
write_restart_settings
(
FILE
*
);
virtual
void
read_restart_settings
(
FILE
*
);
double
single
(
int
,
int
,
int
,
int
,
double
,
double
,
double
,
double
&
);
protected:
double
cut_global
,
temperature
;
int
seed
;
double
**
cut
;
double
**
a0
,
**
gamma
;
double
**
sigma
;
class
RanMars
**
random
;
template
<
int
,
int
,
int
>
void
eval
();
void
allocate
();
};
}
#endif
#endif
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