/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator https://www.lammps.org/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov 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 ANGLE_CLASS // clang-format off AngleStyle(class2/p6,AngleClass2P6); // clang-format on #else #ifndef LMP_ANGLE_CLASS2_P6_H #define LMP_ANGLE_CLASS2_P6_H #include "angle.h" namespace LAMMPS_NS { class AngleClass2P6 : public Angle { public: AngleClass2P6(class LAMMPS *); virtual ~AngleClass2P6(); virtual void compute(int, int); void coeff(int, char **); double equilibrium_angle(int); void write_restart(FILE *); void read_restart(FILE *); void write_data(FILE *); double single(int, int, int, int); protected: double *theta0, *k2, *k3, *k4, *k5, *k6; double *bb_k, *bb_r1, *bb_r2; double *ba_k1, *ba_k2, *ba_r1, *ba_r2; int *setflag_a, *setflag_bb, *setflag_ba; void allocate(); }; } // namespace LAMMPS_NS #endif #endif /* ERROR/WARNING messages: E: Incorrect args for angle coefficients Self-explanatory. Check the input script or data file. */