lammps/src/dump_xyz.h

/* ----------------------------------------------------------------------
   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