/* -*- c++ -*- ----------------------------------------------------------
   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
   https://www.lammps.org/, Sandia National Laboratories
   LAMMPS development team: developers@lammps.org

   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
// clang-format off
PairStyle(lebedeva/z,PairLebedevaZ);
// clang-format on
#else

#ifndef LMP_PAIR_LEBEDEVA_Z_H
#define LMP_PAIR_LEBEDEVA_Z_H

#include "pair.h"

namespace LAMMPS_NS {

class PairLebedevaZ : public Pair {
 public:
  PairLebedevaZ(class LAMMPS *);
  ~PairLebedevaZ() override;

  void compute(int, int) override;
  void settings(int, char **) override;
  void coeff(int, char **) override;
  void init_style() override;
  double init_one(int, int) override;

  static constexpr int NPARAMS_PER_LINE = 12;

 protected:
  struct Param {
    double z0, A, B, C, alpha, D1, D2, lambda1, lambda2, S;
    double z02, z06;
    int ielement, jelement;
  };
  Param *params;    // parameter set for I-J interactions

  double cut_global;
  double **offset;
  void read_file(char *);
  void allocate();
};

}    // namespace LAMMPS_NS

#endif
#endif
