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fix_wall.h
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Created
Sun, Jul 21, 04:27
Size
1 KB
Mime Type
text/x-c
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Tue, Jul 23, 04:27 (2 d)
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blob
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19197240
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rLAMMPS lammps
fix_wall.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.
------------------------------------------------------------------------- */
#ifndef LMP_FIX_WALL_H
#define LMP_FIX_WALL_H
#include "fix.h"
namespace
LAMMPS_NS
{
class
FixWall
:
public
Fix
{
public:
FixWall
(
class
LAMMPS
*
,
int
,
char
**
);
virtual
~
FixWall
()
{}
int
setmask
();
virtual
void
init
();
void
setup
(
int
);
void
min_setup
(
int
);
void
post_force
(
int
);
void
post_force_respa
(
int
,
int
,
int
);
void
min_post_force
(
int
);
double
compute_scalar
();
double
compute_vector
(
int
);
virtual
void
precompute
(
int
)
=
0
;
virtual
void
wall_particle
(
int
,
double
)
=
0
;
protected:
int
wallflag
[
6
];
double
coord0
[
6
],
epsilon
[
6
],
sigma
[
6
],
cutoff
[
6
];
int
velflag
,
wigflag
;
double
vel
[
6
],
amplitude
[
6
];
double
period
,
omega
;
int
eflag
;
double
ewall
[
7
],
ewall_all
[
7
];
int
nlevels_respa
;
double
dt
;
int
time_origin
;
};
}
#endif
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