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pair_brownian.h
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Thu, Aug 15, 19:58
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rLAMMPS lammps
pair_brownian.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
(
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
flagHI
,
flagVF
;
int
flagdeform
,
flagwall
;
double
vol_P
;
double
rad
;
class
FixWall
*
wallfix
;
int
seed
;
double
**
cut_inner
,
**
cut
;
double
R0
,
RT0
;
class
RanMars
*
random
;
void
set_3_orthogonal_vectors
(
double
*
,
double
*
,
double
*
);
void
allocate
();
};
}
#endif
#endif
/* ERROR/WARNING messages:
E: Illegal ... command
Self-explanatory. Check the input script syntax and compare to the
documentation for the command. You can use -echo screen as a
command-line option when running LAMMPS to see the offending line.
W: Cannot include log terms without 1/r terms; setting flagHI to 1
Self-explanatory.
E: Incorrect args for pair coefficients
Self-explanatory. Check the input script or data file.
E: Pair brownian requires atom style sphere
Self-explanatory.
W: Pair brownian needs newton pair on for momentum conservation
Self-explanatory.
E: Pair brownian requires extended particles
One of the particles has radius 0.0.
E: Pair brownian requires monodisperse particles
All particles must be the same finite size.
E: Cannot use multiple fix wall commands with pair brownian
Self-explanatory.
*/
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