/* -*- 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(addvelocity,FixAddVelocity) #else #ifndef LMP_FIX_ADDVELOCITY_H #define LMP_FIX_ADDVELOCITY_H #include "fix.h" namespace LAMMPS_NS { class FixAddVelocity : public Fix { public: FixAddVelocity(class LAMMPS *, int, char **); ~FixAddVelocity(); 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 compute_scalar(); double compute_vector(int); double memory_usage(); private: double xvalue,yvalue,zvalue; int varflag,iregion; char *xstr,*ystr,*zstr,*estr; char *idregion; int xvar,yvar,zvar,evar,xstyle,ystyle,zstyle,estyle; double voriginal[4],voriginal_all[4]; int velocity_flag; int nlevels_respa; int maxatom; double **svelocity; }; } #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. E: Region ID for fix addvelocity does not exist Self-explanatory. E: Variable name for fix addvelocity does not exist Self-explanatory. E: Variable for fix addvelocity is invalid style Self-explanatory. E: Cannot use variable energy with constant velocity in fix addvelocity This is because for constant velocity, LAMMPS can compute the change in energy directly. E: Must use variable energy with fix addvelocity Must define an energy vartiable when applyting a dynamic velocity during minimization. */