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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
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
/* ----------------------------------------------------------------------
Contributing author: Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */
#ifdef PAIR_CLASS
PairStyle(tersoff/zbl/omp,PairTersoffZBLOMP)
#else
#ifndef LMP_PAIR_TERSOFF_ZBL_OMP_H
#define LMP_PAIR_TERSOFF_ZBL_OMP_H
#include "pair_tersoff_omp.h"
namespace LAMMPS_NS {
class PairTersoffZBLOMP : public PairTersoffOMP {
public:
PairTersoffZBLOMP(class LAMMPS *);
virtual ~PairTersoffZBLOMP() {}
protected:
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)
virtual void read_file(char *);
virtual void repulsive(Param *, double, double &, int, double &);
virtual void force_zeta(Param *, double, double, double &, double &, int, double &);
};
}
#endif
#endif