/* -*- 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 COMPUTE_CLASS // clang-format off ComputeStyle(temp/sphere,ComputeTempSphere); // clang-format on #else #ifndef LMP_COMPUTE_TEMP_SPHERE_H #define LMP_COMPUTE_TEMP_SPHERE_H #include "compute.h" namespace LAMMPS_NS { class ComputeTempSphere : public Compute { public: ComputeTempSphere(class LAMMPS *, int, char **); ~ComputeTempSphere() override; void init() override; void setup() override; double compute_scalar() override; void compute_vector() override; void remove_bias(int, double *) override; void remove_bias_thr(int, double *, double *) override; void restore_bias(int, double *) override; void restore_bias_thr(int, double *, double *) override; private: int mode; double tfactor; char *id_bias; Compute *tbias; // ptr to additional bias compute void dof_compute(); }; } // namespace LAMMPS_NS #endif #endif