/* -*- 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(fourier,AngleFourier); // clang-format on #else #ifndef ANGLE_FOURIER_H #define ANGLE_FOURIER_H #include "angle.h" namespace LAMMPS_NS { class AngleFourier : public Angle { public: AngleFourier(class LAMMPS *); virtual ~AngleFourier(); 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 *); virtual double single(int, int, int, int); protected: double *k, *C0, *C1, *C2; void allocate(); }; } // namespace LAMMPS_NS #endif #endif