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write_data.h
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Created
Mon, Nov 11, 18:10
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Wed, Nov 13, 18:10 (1 d, 23 h)
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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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