/* -*- 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 FIX_CLASS // clang-format off FixStyle(nve,FixNVE); // clang-format on #else #ifndef LMP_FIX_NVE_H #define LMP_FIX_NVE_H #include "fix.h" namespace LAMMPS_NS { class FixNVE : public Fix { public: FixNVE(class LAMMPS *, int, char **); int setmask() override; void init() override; void initial_integrate(int) override; void final_integrate() override; void initial_integrate_respa(int, int, int) override; void final_integrate_respa(int, int) override; void reset_dt() override; protected: double dtv, dtf; double *step_respa; int mass_require; }; } // namespace LAMMPS_NS #endif #endif