/* -*- 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. ------------------------------------------------------------------------- */ #ifndef LMP_FIX_NVE2_H #define LMP_FIX_NVE2_H #include "fix.h" namespace LAMMPS_NS { class FixNVE2 : public Fix { public: FixNVE2(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 /* ERROR/WARNING messages: E: Illegal ... command Self-explanatory. Check the input script syntax and compare to the documentation for the command. You can use -echo screen as a command-line option when running LAMMPS to see the offending line. */