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fix_wall_gran.h
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Wed, Jun 26, 22:17
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text/x-c
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Fri, Jun 28, 22:17 (2 d)
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blob
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rLAMMPS lammps
fix_wall_gran.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 FIX_CLASS
FixStyle
(
wall
/
gran
,
FixWallGran
)
#else
#ifndef LMP_FIX_WALL_GRAN_H
#define LMP_FIX_WALL_GRAN_H
#include "fix.h"
namespace
LAMMPS_NS
{
class
FixWallGran
:
public
Fix
{
public:
FixWallGran
(
class
LAMMPS
*
,
int
,
char
**
);
virtual
~
FixWallGran
();
int
setmask
();
void
init
();
void
setup
(
int
);
virtual
void
post_force
(
int
);
virtual
void
post_force_respa
(
int
,
int
,
int
);
double
memory_usage
();
void
grow_arrays
(
int
);
void
copy_arrays
(
int
,
int
,
int
);
void
set_arrays
(
int
);
int
pack_exchange
(
int
,
double
*
);
int
unpack_exchange
(
int
,
double
*
);
int
pack_restart
(
int
,
double
*
);
void
unpack_restart
(
int
,
int
);
int
size_restart
(
int
);
int
maxsize_restart
();
void
reset_dt
();
protected:
int
wallstyle
,
pairstyle
,
wiggle
,
wshear
,
axis
;
double
kn
,
kt
,
gamman
,
gammat
,
xmu
;
double
lo
,
hi
,
cylradius
;
double
amplitude
,
period
,
omega
,
vshear
;
double
dt
;
int
nlevels_respa
;
int
time_origin
;
int
*
touch
;
double
**
shear
;
int
shearupdate
;
void
hooke
(
double
,
double
,
double
,
double
,
double
*
,
double
*
,
double
*
,
double
*
,
double
*
,
double
,
double
);
void
hooke_history
(
double
,
double
,
double
,
double
,
double
*
,
double
*
,
double
*
,
double
*
,
double
*
,
double
,
double
,
double
*
);
void
hertz_history
(
double
,
double
,
double
,
double
,
double
*
,
double
*
,
double
*
,
double
*
,
double
*
,
double
,
double
,
double
*
);
};
}
#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: Fix wall/gran requires atom style sphere
Self-explanatory.
E: Cannot use wall in periodic dimension
Self-explanatory.
E: Cannot wiggle and shear fix wall/gran
Cannot specify both options at the same time.
E: Invalid wiggle direction for fix wall/gran
Self-explanatory.
E: Invalid shear direction for fix wall/gran
Self-explanatory.
E: Fix wall/gran is incompatible with Pair style
Must use a granular pair style to define the parameters needed for
this fix.
*/
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