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fix_wall_gran_region.h
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Fri, Sep 27, 03:19
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rLAMMPS lammps
fix_wall_gran_region.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
/
gran
/
region
,
FixWallGranRegion
)
#else
#ifndef LMP_FIX_WALL_GRAN_REGION_H
#define LMP_FIX_WALL_GRAN_REGION_H
#include "fix_wall_gran.h"
namespace
LAMMPS_NS
{
class
FixWallGranRegion
:
public
FixWallGran
{
public:
FixWallGranRegion
(
class
LAMMPS
*
,
int
,
char
**
);
~
FixWallGranRegion
();
void
post_force
(
int
);
void
write_restart
(
FILE
*
);
void
restart
(
char
*
);
void
init
();
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
();
private:
class
Region
*
region
;
char
*
region_style
;
int
nregion
;
// shear history for multiple contacts per particle
int
tmax
;
// max # of region walls one particle can touch
int
*
ncontact
;
// # of shear contacts per particle
int
**
walls
;
// which wall each contact is with
double
***
shearmany
;
// shear history per particle per contact
int
*
c2r
;
// contact to region mapping
// c2r[i] = index of Ith contact in
// region-contact[] list of contacts
int
motion_resetflag
;
// used by restart to indicate that region
// vel info is to be reset
void
update_contacts
(
int
,
int
);
};
}
#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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