1 /* -*- c++ -*- ---------------------------------------------------------- 2 LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator 3 https://www.lammps.org/, Sandia National Laboratories 4 Steve Plimpton, sjplimp@sandia.gov 5 6 Copyright (2003) Sandia Corporation. Under the terms of Contract 7 DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains 8 certain rights in this software. This software is distributed under 9 the GNU General Public License. 10 11 See the README file in the top-level LAMMPS directory. 12 ------------------------------------------------------------------------- */ 13 14 #ifdef BOND_CLASS 15 // clang-format off 16 BondStyle(class2,BondClass2); 17 // clang-format on 18 #else 19 20 #ifndef LMP_BOND_CLASS2_H 21 #define LMP_BOND_CLASS2_H 22 23 #include "bond.h" 24 25 namespace LAMMPS_NS { 26 27 class BondClass2 : public Bond { 28 public: 29 BondClass2(class LAMMPS *); 30 virtual ~BondClass2(); 31 virtual void compute(int, int); 32 virtual void coeff(int, char **); 33 double equilibrium_distance(int); 34 void write_restart(FILE *); 35 virtual void read_restart(FILE *); 36 void write_data(FILE *); 37 double single(int, double, int, int, double &); 38 virtual void *extract(const char *, int &); 39 40 protected: 41 double *r0, *k2, *k3, *k4; 42 43 void allocate(); 44 }; 45 46 } // namespace LAMMPS_NS 47 48 #endif 49 #endif 50 51 /* ERROR/WARNING messages: 52 53 E: Incorrect args for bond coefficients 54 55 Self-explanatory. Check the input script or data file. 56 57 */ 58