/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator http://lammps.sandia.gov, 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 AngleStyle(class2,AngleClass2) #else #ifndef LMP_ANGLE_CLASS2_H #define LMP_ANGLE_CLASS2_H #include "angle.h" namespace LAMMPS_NS { class AngleClass2 : public Angle { public: AngleClass2(class LAMMPS *); virtual ~AngleClass2(); virtual void compute(int, int); virtual void coeff(int, char **); double equilibrium_angle(int); virtual void write_restart(FILE *); void read_restart(FILE *); void write_data(FILE *); double single(int, int, int, int); protected: double *theta0,*k2,*k3,*k4; 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(); }; } #endif #endif /* ERROR/WARNING messages: E: Incorrect args for angle coefficients Self-explanatory. Check the input script or data file. */