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dump_xyz.h
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Created
Sat, Jun 28, 07:31
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text/x-c
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Mon, Jun 30, 07:31 (2 d)
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rLAMMPS lammps
dump_xyz.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.
------------------------------------------------------------------------- */
#ifndef DUMP_XYZ_H
#define DUMP_XYZ_H
#include "dump.h"
namespace LAMMPS_NS {
class DumpXYZ : public Dump {
public:
DumpXYZ(class LAMMPS *, int, char**);
~DumpXYZ();
void init();
double memory_usage();
private:
int natoms,ntotal;
int *types;
float *coords;
void write_header(int);
int count();
int pack();
void write_data(int, double *);
void write_frame();
};
}
#endif
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