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dump_atom.h
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Created
Wed, Sep 18, 17:30
Size
2 KB
Mime Type
text/x-c
Expires
Fri, Sep 20, 17:30 (1 d, 23 h)
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blob
Format
Raw Data
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20883971
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rLAMMPS lammps
dump_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 DUMP_CLASS
DumpStyle
(
atom
,
DumpAtom
)
#else
#ifndef LMP_DUMP_ATOM_H
#define LMP_DUMP_ATOM_H
#include "dump.h"
namespace
LAMMPS_NS
{
class
DumpAtom
:
public
Dump
{
public:
DumpAtom
(
LAMMPS
*
,
int
,
char
**
);
private:
int
scale_flag
;
// 1 if atom coords are scaled, 0 if no
int
image_flag
;
// 1 if append box count to atom coords, 0 if no
char
*
columns
;
// column labels
void
init_style
();
int
modify_param
(
int
,
char
**
);
void
write_header
(
bigint
);
int
count
();
void
pack
(
int
*
);
void
write_data
(
int
,
double
*
);
typedef
void
(
DumpAtom
::*
FnPtrHeader
)(
bigint
);
FnPtrHeader
header_choice
;
// ptr to write header functions
void
header_binary
(
bigint
);
void
header_binary_triclinic
(
bigint
);
void
header_item
(
bigint
);
void
header_item_triclinic
(
bigint
);
typedef
void
(
DumpAtom
::*
FnPtrPack
)(
int
*
);
FnPtrPack
pack_choice
;
// ptr to pack functions
void
pack_scale_image
(
int
*
);
void
pack_scale_noimage
(
int
*
);
void
pack_noscale_image
(
int
*
);
void
pack_noscale_noimage
(
int
*
);
void
pack_scale_image_triclinic
(
int
*
);
void
pack_scale_noimage_triclinic
(
int
*
);
typedef
void
(
DumpAtom
::*
FnPtrData
)(
int
,
double
*
);
FnPtrData
write_choice
;
// ptr to write data functions
void
write_binary
(
int
,
double
*
);
void
write_image
(
int
,
double
*
);
void
write_noimage
(
int
,
double
*
);
};
}
#endif
#endif
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