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reader_xyz.h
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Sun, Sep 15, 01:18
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text/x-c++
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Tue, Sep 17, 01:18 (1 d, 23 h)
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rLAMMPS lammps
reader_xyz.h
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/* -*- c++ -*- ----------------------------------------------------------
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.
Contributed by Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */
#ifdef READER_CLASS
ReaderStyle(xyz,ReaderXYZ)
#else
#ifndef LMP_READER_XYZ_H
#define LMP_READER_XYZ_H
#include "reader.h"
namespace LAMMPS_NS {
class ReaderXYZ : public Reader {
public:
ReaderXYZ(class LAMMPS *);
~ReaderXYZ();
int read_time(bigint &);
void skip();
bigint read_header(double [3][3], int &, int, int, int *, char **,
int, int &, int &, int &, int &);
void read_atoms(int, int, double **);
private:
char *line; // line read from dump file
bigint nstep; // current (time) step number
bigint natoms; // current number of atoms
bigint nid; // current atom id.
int *fieldindex; // mapping of input fields to dump
void read_lines(int);
};
}
#endif
#endif
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