/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator https://www.lammps.org/, Sandia National Laboratories LAMMPS development team: developers@lammps.org 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/ramp,ComputeTempRamp); // clang-format on #else #ifndef LMP_COMPUTE_TEMP_RAMP_H #define LMP_COMPUTE_TEMP_RAMP_H #include "compute.h" namespace LAMMPS_NS { class ComputeTempRamp : public Compute { public: ComputeTempRamp(class LAMMPS *, int, char **); ~ComputeTempRamp() override; void init() override {} void setup() override; double compute_scalar() override; void compute_vector() override; void remove_bias(int, double *) override; void remove_bias_all() override; void remove_bias_thr(int, double *, double *) override; void restore_bias(int, double *) override; void restore_bias_thr(int, double *, double *) override; void restore_bias_all() override; double memory_usage() override; private: int coord_dim; double coord_lo, coord_hi; int v_dim; double v_lo, v_hi; int scaleflag; double tfactor, xscale, yscale, zscale; void dof_compute(); }; } // namespace LAMMPS_NS #endif #endif