/* -*- 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(coul/dsf,PairCoulDSF); // clang-format on #else #ifndef LMP_PAIR_COUL_DSF_H #define LMP_PAIR_COUL_DSF_H #include "pair.h" namespace LAMMPS_NS { class PairCoulDSF : public Pair { public: PairCoulDSF(class LAMMPS *); ~PairCoulDSF() 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; void write_restart(FILE *) override; void read_restart(FILE *) override; void write_restart_settings(FILE *) override; void read_restart_settings(FILE *) override; double single(int, int, int, int, double, double, double, double &) override; void *extract(const char *, int &) override; protected: double cut_coul, cut_coulsq; double alpha; double f_shift, e_shift; void allocate(); }; } // namespace LAMMPS_NS #endif #endif