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pair_brownian.h
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Created
Wed, Nov 20, 00:25
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text/x-c
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Fri, Nov 22, 00:25 (1 d, 23 h)
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rLAMMPS lammps
pair_brownian.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
(
brownian
,
PairBrownian
)
#else
#ifndef LMP_PAIR_BROWNIAN_H
#define LMP_PAIR_BROWNIAN_H
#include "pair.h"
namespace
LAMMPS_NS
{
class
PairBrownian
:
public
Pair
{
public:
PairBrownian
(
class
LAMMPS
*
);
virtual
~
PairBrownian
();
virtual
void
compute
(
int
,
int
);
void
settings
(
int
,
char
**
);
void
coeff
(
int
,
char
**
);
virtual
double
init_one
(
int
,
int
);
virtual
void
init_style
();
void
write_restart
(
FILE
*
);
void
read_restart
(
FILE
*
);
void
write_restart_settings
(
FILE
*
);
void
read_restart_settings
(
FILE
*
);
protected
:
double
cut_inner_global
,
cut_global
;
double
t_target
,
mu
;
int
flaglog
,
flagfld
;
int
seed
;
double
**
cut_inner
,
**
cut
;
double
R0
,
RT0
;
class
RanMars
*
random
;
void
set_3_orthogonal_vectors
(
double
*
,
double
*
,
double
*
);
void
allocate
();
};
}
#endif
#endif
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