/* ---------------------------------------------------------------------- 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. ------------------------------------------------------------------------- */ #ifdef FIX_CLASS FixStyle(store/force,FixStoreForce) #else #ifndef LMP_FIX_STORE_FORCE_H #define LMP_FIX_STORE_FORCE_H #include "fix.h" namespace LAMMPS_NS { class FixStoreForce : public Fix { public: FixStoreForce(class LAMMPS *, int, char **); ~FixStoreForce(); int setmask(); void init(); void setup(int); void min_setup(int); void post_force(int); void post_force_respa(int, int, int); void min_post_force(int); double memory_usage(); private: int nlevels_respa; int nmax; double **foriginal; // stored force on atoms }; } #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. */