/* -*- 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. ------------------------------------------------------------------------- */ #ifndef LMP_ANGLE_ZERO2_H #define LMP_ANGLE_ZERO2_H #include "angle.h" namespace LAMMPS_NS { class AngleZero2 : public Angle { public: AngleZero2(class LAMMPS *); virtual ~AngleZero2(); virtual void compute(int, int); virtual void coeff(int, char **); virtual void settings(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; int coeffflag; void allocate(); }; } #endif /* ERROR/WARNING messages: E: Illegal ... command UNDOCUMENTED E: Incorrect args for angle coefficients Self-explanatory. Check the input script or data file. */