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fix_event.h
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Thu, Jun 27, 16:32
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Sat, Jun 29, 16:32 (1 d, 23 h)
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rLAMMPS lammps
fix_event.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.
------------------------------------------------------------------------- */
#ifndef LMP_FIX_EVENT_H
#define LMP_FIX_EVENT_H
#include "fix.h"
namespace
LAMMPS_NS
{
class
FixEvent
:
public
Fix
{
public:
FixEvent
(
class
LAMMPS
*
,
int
,
char
**
);
virtual
~
FixEvent
()
=
0
;
// Use destructor to make base class virtual
int
setmask
();
double
memory_usage
();
void
grow_arrays
(
int
);
void
copy_arrays
(
int
,
int
,
int
);
int
pack_exchange
(
int
,
double
*
);
int
unpack_exchange
(
int
,
double
*
);
virtual
void
write_restart
(
FILE
*
);
virtual
void
restart
(
char
*
);
// methods specific to FixEvent
void
store_event
();
// store quenched atoms
void
restore_event
();
// restore quenched atoms
void
store_state
();
// store hot atoms
void
restore_state
();
// restore hot atoms
private:
double
**
xevent
;
// atom coords at last event
double
**
xold
;
// atom coords for reset/restore
double
**
vold
;
// atom vels for reset/restore
int
*
imageold
;
// image flags for reset/restore
};
}
#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.
*/
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