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fix_property_atom.h
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Created
Fri, Oct 18, 15:17
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text/x-c
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Sun, Oct 20, 15:17 (2 d)
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rLAMMPS lammps
fix_property_atom.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
(
property
/
atom
,
FixPropertyAtom
)
#else
#ifndef LMP_FIX_PROPERTY_ATOM_H
#define LMP_FIX_PROPERTY_ATOM_H
#include "fix.h"
namespace
LAMMPS_NS
{
class
FixPropertyAtom
:
public
Fix
{
public:
FixPropertyAtom
(
class
LAMMPS
*
,
int
,
char
**
);
~
FixPropertyAtom
();
int
setmask
();
void
init
();
void
read_data_section
(
char
*
,
int
,
char
*
);
bigint
read_data_skip_lines
(
char
*
);
void
grow_arrays
(
int
);
void
copy_arrays
(
int
,
int
,
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
();
double
memory_usage
();
private:
int
nvalue
,
border
,
molecule_flag
;
int
*
style
;
int
nmax_old
;
// length of peratom arrays the last time they grew
};
}
#endif
#endif
/* ERROR/WARNING messages:
*/
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