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fix_event_tad.h
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Wed, Aug 21, 18:17
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Fri, Aug 23, 18:17 (2 d)
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rLAMMPS lammps
fix_event_tad.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
(
EVENT
/
TAD
,
FixEventTAD
)
#else
#ifndef LMP_FIX_EVENT_TAD_H
#define LMP_FIX_EVENT_TAD_H
#include "fix_event.h"
namespace
LAMMPS_NS
{
class
FixEventTAD
:
public
FixEvent
{
public:
int
event_number
;
// event counter
bigint
event_timestep
;
// timestep of last event
double
tlo
;
// event time at low temperature
double
ebarrier
;
// energy barrier for this event
FixEventTAD
(
class
LAMMPS
*
,
int
,
char
**
);
~
FixEventTAD
()
{}
void
write_restart
(
FILE
*
);
void
restart
(
char
*
);
// methods specific to FixEventTAD, invoked by TAD
void
store_event_tad
(
bigint
);
private:
};
}
#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.
*/
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