/* -*- 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. ------------------------------------------------------------------------- */ #ifdef FIX_CLASS FixStyle(dt/reset,FixDtReset) #else #ifndef LMP_FIX_DT_RESET_H #define LMP_FIX_DT_RESET_H #include "fix.h" namespace LAMMPS_NS { class FixDtReset : public Fix { public: FixDtReset(class LAMMPS *, int, char **); ~FixDtReset() {} int setmask(); void init(); void setup(int); void end_of_step(); double compute_scalar(); private: bigint laststep; int minbound,maxbound; double tmin,tmax,xmax,emax; double ftm2v,mvv2e; double dt,t_laststep; int respaflag; }; } #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. W: Dump dcd/xtc timestamp may be wrong with fix dt/reset If the fix changes the timestep, the dump dcd file will not reflect the change. */