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fix_wall_srd.h
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Thu, May 30, 18:50
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rLAMMPS lammps
fix_wall_srd.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
(
wall
/
srd
,
FixWallSRD
)
#else
#ifndef LMP_FIX_WALL_SRD_H
#define LMP_FIX_WALL_SRD_H
#include "fix.h"
namespace
LAMMPS_NS
{
class
FixWallSRD
:
public
Fix
{
public:
int
nwall
,
varflag
,
overlap
;
int
wallwhich
[
6
];
double
xwall
[
6
],
xwallhold
[
6
],
vwall
[
6
];
double
**
fwall
;
FixWallSRD
(
class
LAMMPS
*
,
int
,
char
**
);
~
FixWallSRD
();
int
setmask
();
void
init
();
double
compute_array
(
int
,
int
);
void
wall_params
(
int
);
private:
int
wallstyle
[
6
];
double
coord0
[
6
];
char
*
varstr
[
6
];
int
varindex
[
6
];
double
dt
;
double
xwalllast
[
6
];
bigint
laststep
;
double
**
fwall_all
;
int
force_flag
;
};
}
#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.
E: Wall defined twice in fix wall/srd command
Self-explanatory.
E: Cannot use fix wall/srd in periodic dimension
Self-explanatory.
E: Cannot use fix wall/srd zlo/zhi for a 2d simulation
Self-explanatory.
E: Cannot use fix wall/srd without fix srd
Self-explanatory.
E: Variable name for fix wall/srd does not exist
Self-explanatory.
E: Variable for fix wall/srd is invalid style
Only equal-style variables can be used.
*/
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