/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator http://lammps.sandia.gov, 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. Pair zero is a dummy pair interaction useful for requiring a force cutoff distance in the absense of pair-interactions or with hybrid/overlay if a larger force cutoff distance is required. This can be used in conjunction with bond/create to create bonds that are longer than the cutoff of a given force field, or to calculate radial distribution functions for models without pair interactions. ------------------------------------------------------------------------- */ #ifdef FIX_CLASS FixStyle(python/move,FixPythonMove) #else #ifndef LMP_FIX_PYTHON_MOVE_H #define LMP_FIX_PYTHON_MOVE_H #include "fix.h" namespace LAMMPS_NS { class FixPythonMove : public Fix { public: FixPythonMove(LAMMPS *lmp, int narg, char **arg); virtual ~FixPythonMove(); int setmask(); virtual void init(); virtual void initial_integrate(int); virtual void final_integrate(); virtual void initial_integrate_respa(int, int, int); virtual void final_integrate_respa(int, int); virtual void reset_dt(); protected: void * py_move; }; } #endif #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. */