/* -*- 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(soft/pot,PairSoftPot); // clang-format on #else #ifndef LMP_PAIR_SOFT_POT_H #define LMP_PAIR_SOFT_POT_H #include "pair.h" namespace LAMMPS_NS{ class PairSoftPot : public Pair{ public: PairSoftPot(class LAMMPS *); ~PairSoftPot() override; void compute(int, int) override; void settings(int, char **) override; void coeff(int, char **) 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; void write_data(FILE *) override; void write_data_all(FILE *) override; double single(int, int, int, int, double, double, double, double &) override; void *extract(const char *, int &) override; protected: double cut_global; double **cut; double **epsilon, **eta1, **eta2, **mu, **nu; double **v0, **r_m; double **offset; virtual void allocate(); }; } // namespace LAMMPS_NS #endif #endif