pair_lj_cut_coul_long_tip4p.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 PAIR_LJ_CUT_COUL_LONG_TIP4P_H
	#define PAIR_LJ_CUT_COUL_LONG_TIP4P_H

	#include "pair_lj_cut_coul_long.h"

	namespace LAMMPS_NS {

	class PairLJCutCoulLongTIP4P : public PairLJCutCoulLong {
	public:
	PairLJCutCoulLongTIP4P(class LAMMPS *);
	void compute(int, int);
	void settings(int, char **);
	void init_style();
	void write_restart_settings(FILE *fp);
	void read_restart_settings(FILE *fp);
	void extract(char );

	private:
	int typeH,typeO; // atom types of TIP4P water H and O atoms
	int typeA,typeB; // angle and bond types of TIP4P water
	double qdist; // distance from O site to negative charge
	double alpha; // geometric constraint parameter for TIP4P
	double **tf;
	double tvirial[6];

	void find_M(int, int &, int &, double *);
	};

	}

	#endif