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lammps_data_write.h
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Created
Wed, Oct 16, 23:21
Size
806 B
Mime Type
text/x-c
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Fri, Oct 18, 23:21 (2 d)
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blob
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Raw Data
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21718931
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rLAMMPS lammps
lammps_data_write.h
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#ifndef LAMMPS_DATA_WRITE_H
#define LAMMPS_DATA_WRITE_H
#include <stdio.h>
#include "send2one.h"
class
LAMMPSDataWrite
:
public
Send2One
{
public:
LAMMPSDataWrite
(
MPI_Comm
);
~
LAMMPSDataWrite
();
void
pre
();
int
size
();
void
pack
(
char
*
);
void
process
(
int
,
char
*
);
void
post
();
void
file
(
char
*
);
void
header
(
char
*
,
int
);
void
header
(
char
*
,
double
);
void
header
(
char
*
,
double
,
double
);
void
atoms
(
int
);
void
atoms
(
int
*
);
void
atoms
(
double
*
);
void
atoms
(
int
,
double
**
);
private:
char
*
outfile
;
int
nlocal
;
FILE
*
fp
;
int
nheader
,
maxheader
;
char
**
format
;
int
*
headtype
,
*
ihead
;
double
*
dhead
;
double
**
ddhead
;
int
nper
,
maxper
;
int
*
atomtype
;
int
**
ivec
;
double
**
dvec
;
int
*
stride
;
void
grow_header
();
void
grow_peratom
();
};
#endif
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