/* -*- 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. Pair zero is a dummy pair interaction useful for requiring a force cutoff distance in the absence of pair-interactions or with hybrid/overlay if a larger force cutoff distance is required. This can be used in conjunction with bond/create to create bonds that are longer than the cutoff of a given force field, or to calculate radial distribution functions for models without pair interactions. ------------------------------------------------------------------------- */ #ifdef PAIR_CLASS // clang-format off PairStyle(python,PairPython); // clang-format on #else #ifndef LMP_PAIR_PYTHON_H #define LMP_PAIR_PYTHON_H #include "pair.h" namespace LAMMPS_NS { class PairPython : public Pair { public: PairPython(class LAMMPS *); ~PairPython() override; void compute(int, int) override; void settings(int, char **) override; void coeff(int, char **) override; double init_one(int, int) override; double single(int, int, int, int, double, double, double, double &) override; protected: double cut_global; void *py_potential; int *skip_types; virtual void allocate(); void *get_member_function(const char *); }; } // namespace LAMMPS_NS #endif #endif