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pair_gran_hooke_history.h
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Fri, Oct 4, 01:15
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rLAMMPS lammps
pair_gran_hooke_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 PAIR_CLASS
PairStyle
(
gran
/
hooke
/
history
,
PairGranHookeHistory
)
#else
#ifndef LMP_PAIR_GRAN_HOOKE_HISTORY_H
#define LMP_PAIR_GRAN_HOOKE_HISTORY_H
#include "pair.h"
namespace
LAMMPS_NS
{
class
PairGranHookeHistory
:
public
Pair
{
public:
int
computeflag
;
PairGranHookeHistory
(
class
LAMMPS
*
);
virtual
~
PairGranHookeHistory
();
virtual
void
compute
(
int
,
int
);
virtual
void
settings
(
int
,
char
**
);
void
coeff
(
int
,
char
**
);
void
init_style
();
void
init_list
(
int
,
class
NeighList
*
);
double
init_one
(
int
,
int
);
void
write_restart
(
FILE
*
);
void
read_restart
(
FILE
*
);
void
write_restart_settings
(
FILE
*
);
void
read_restart_settings
(
FILE
*
);
void
reset_dt
();
virtual
double
single
(
int
,
int
,
int
,
int
,
double
,
double
,
double
,
double
&
);
int
pack_comm
(
int
,
int
*
,
double
*
,
int
,
int
*
);
void
unpack_comm
(
int
,
int
,
double
*
);
void
*
extract
(
const
char
*
,
int
&
);
double
memory_usage
();
protected:
double
kn
,
kt
,
gamman
,
gammat
,
xmu
;
int
dampflag
;
double
dt
;
int
freeze_group_bit
;
int
history
;
char
*
suffix
;
int
neighprev
;
double
*
onerad_dynamic
,
*
onerad_frozen
;
double
*
maxrad_dynamic
,
*
maxrad_frozen
;
class
FixShearHistory
*
fix_history
;
// storage of rigid body masses for use in granular interactions
class
Fix
*
fix_rigid
;
// ptr to rigid body fix, NULL if none
double
*
mass_rigid
;
// rigid mass for owned+ghost atoms
int
nmax
;
// allocated size of mass_rigid
void
allocate
();
};
}
#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: Incorrect args for pair coefficients
Self-explanatory. Check the input script or data file.
E: Pair granular requires atom style sphere
Self-explanatory.
E: Pair granular requires ghost atoms store velocity
Use the communicate vel yes command to enable this.
E: Pair granular with shear history requires newton pair off
This is a current restriction of the implementation of pair
granular styles with history.
*/
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