pair_tersoff_zbl.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 PAIR_CLASS

	PairStyle(tersoff/zbl,PairTersoffZBL)

	#else

	#ifndef LMP_PAIR_TERSOFF_ZBL_H
	#define LMP_PAIR_TERSOFF_ZBL_H

	#include "pair_tersoff.h"

	namespace LAMMPS_NS {

	class PairTersoffZBL : public PairTersoff {
	public:
	PairTersoffZBL(class LAMMPS *);
	~PairTersoffZBL() {}

	private:
	double global_a_0; // Bohr radius for Coulomb repulsion
	double global_epsilon_0; // permittivity of vacuum for Coulomb repulsion
	double global_e; // proton charge (negative of electron charge)

	void read_file(char *);
	void repulsive(Param *, double, double &, int, double &);

	double ters_fa(double, Param *);
	double ters_fa_d(double, Param *);

	double F_fermi(double, Param *);
	double F_fermi_d(double, Param *);
	};

	}

	#endif
	#endif