/* -*- 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 BOND_CLASS // clang-format off BondStyle(harmonic/restrain,BondHarmonicRestrain); // clang-format on #else #ifndef LMP_BOND_HARMONIC_RESTRAIN_H #define LMP_BOND_HARMONIC_RESTRAIN_H #include "bond.h" namespace LAMMPS_NS { class BondHarmonicRestrain : public Bond { public: BondHarmonicRestrain(class LAMMPS *); ~BondHarmonicRestrain() override; void compute(int, int) override; void coeff(int, char **) override; void init_style() override; double equilibrium_distance(int) override { return -1.0; }; // return invalid value since not applicable void write_restart(FILE *) override; void read_restart(FILE *) override; void write_data(FILE *) override; double single(int, double, int, int, double &) override; void *extract(const char *, int &) override; protected: double *k; bigint natoms; class FixPropertyAtom *initial; virtual void allocate(); }; } // namespace LAMMPS_NS #endif #endif