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dump_cfg.h
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Mon, Oct 14, 00:56
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Wed, Oct 16, 00:56 (2 d)
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rLAMMPS lammps
dump_cfg.h
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/* -*- c++ -*- ----------------------------------------------------------
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 DUMP_CLASS
DumpStyle
(
cfg
,
DumpCFG
)
#else
#ifndef LMP_DUMP_CFG_H
#define LMP_DUMP_CFG_H
#include "dump_custom.h"
namespace
LAMMPS_NS
{
class
DumpCFG
:
public
DumpCustom
{
public:
int
multifile_override
;
// used by write_dump command
DumpCFG
(
class
LAMMPS
*
,
int
,
char
**
);
virtual
~
DumpCFG
();
protected:
char
**
auxname
;
// name strings of auxiliary properties
int
unwrapflag
;
// 1 if unwrapped coordinates are requested
void
init_style
();
virtual
void
write_header
(
bigint
);
int
convert_string
(
int
,
double
*
);
virtual
void
write_data
(
int
,
double
*
);
typedef
void
(
DumpCFG
::*
FnPtrWrite
)(
int
,
double
*
);
FnPtrWrite
write_choice
;
// ptr to write data functions
void
write_string
(
int
,
double
*
);
void
write_lines
(
int
,
double
*
);
};
}
#endif
#endif
/* ERROR/WARNING messages:
E: Dump cfg arguments must start with 'mass type xs ys zs' or 'mass type xsu ysu zsu'
This is a requirement of the CFG output format. See the dump cfg doc
page for more details.
E: Dump cfg arguments can not mix xs|ys|zs with xsu|ysu|zsu
Self-explanatory.
E: Invalid keyword in dump cfg command
Self-explanatory.
E: Dump cfg requires one snapshot per file
Use the wildcard "*" character in the filename.
*/
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