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write_data.h
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Created
Thu, Sep 5, 13:28
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1 KB
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text/x-c
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Sat, Sep 7, 13:28 (2 d)
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rLAMMPS lammps
write_data.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 COMMAND_CLASS
CommandStyle
(
write_data
,
WriteData
)
#else
#ifndef LMP_WRITE_DATA_H
#define LMP_WRITE_DATA_H
#include "stdio.h"
#include "pointers.h"
namespace
LAMMPS_NS
{
class
WriteData
:
protected
Pointers
{
public:
WriteData
(
class
LAMMPS
*
);
void
command
(
int
,
char
**
);
void
write
(
char
*
);
private:
int
me
,
nprocs
;
FILE
*
fp
;
bigint
natoms
;
// natoms (sum of nlocal) to write into file
void
header
();
void
type_arrays
();
void
force_fields
();
void
atoms
();
void
velocities
();
void
bonds
();
void
angles
();
void
dihedrals
();
void
impropers
();
};
}
#endif
#endif
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