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fix_shear_history.h
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Fri, Jun 21, 10:09
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Sun, Jun 23, 10:09 (1 d, 23 h)
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rLAMMPS lammps
fix_shear_history.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
(
SHEAR_HISTORY
,
FixShearHistory
)
#else
#ifndef LMP_FIX_SHEAR_HISTORY_H
#define LMP_FIX_SHEAR_HISTORY_H
#include "fix.h"
namespace
LAMMPS_NS
{
class
FixShearHistory
:
public
Fix
{
friend
class
Neighbor
;
friend
class
PairGranHookeHistory
;
friend
class
FixPour
;
public:
FixShearHistory
(
class
LAMMPS
*
,
int
,
char
**
);
~
FixShearHistory
();
int
setmask
();
void
init
();
void
setup_pre_exchange
();
virtual
void
pre_exchange
();
void
min_setup_pre_exchange
();
void
min_pre_exchange
();
double
memory_usage
();
void
grow_arrays
(
int
);
void
copy_arrays
(
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
();
protected:
int
*
npartner
;
// # of touching partners of each atom
int
**
partner
;
// tags for the partners
double
***
shearpartner
;
// 3 shear values with the partner
class
Pair
*
pair
;
int
*
computeflag
;
// computeflag in PairGranHookeHistory
};
}
#endif
#endif
/* ERROR/WARNING messages:
E: Pair style granular with history requires atoms have IDs
Atoms in the simulation do not have IDs, so history effects
cannot be tracked by the granular pair potential.
E: Too many touching neighbors - boost MAXTOUCH
A granular simulation has too many neighbors touching one atom. The
MAXTOUCH parameter in fix_shear_history.cpp must be set larger and
LAMMPS must be re-built.
*/
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