dump_xtc.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 DUMP_CLASS

	DumpStyle(xtc,DumpXTC)

	#else

	#ifndef LMP_DUMP_XTC_H
	#define LMP_DUMP_XTC_H

	#include "dump.h"

	#ifdef LAMMPS_XDR
	#include "xdr_compat.h"
	#else
	#include "rpc/rpc.h"
	#include "rpc/xdr.h"
	#endif

	namespace LAMMPS_NS {

	class DumpXTC : public Dump {
	public:
	DumpXTC(class LAMMPS , int, char*);
	~DumpXTC();

	private:
	int natoms,ntotal;
	int nevery_save;
	int unwrap_flag; // 1 if atom coords are unwrapped, 0 if no
	float precision; // user-adjustable precision setting
	float *coords;
	double sfactor;
	XDR xd;

	void init_style();
	int modify_param(int, char **);
	void openfile();
	void write_header(bigint);
	int count();
	void pack(int *);
	void write_data(int, double *);
	bigint memory_usage();

	void write_frame();
	};

	}

	#endif
	#endif