/* -*- 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(setforce,FixSetForce) #else #ifndef LMP_FIX_SET_FORCE_H #define LMP_FIX_SET_FORCE_H #include "fix.h" namespace LAMMPS_NS { class FixSetForce : public Fix { public: FixSetForce(class LAMMPS *, int, char **); virtual ~FixSetForce(); int setmask(); virtual void init(); void setup(int); void min_setup(int); virtual void post_force(int); void post_force_respa(int, int, int); void min_post_force(int); double compute_vector(int); double memory_usage(); protected: double xvalue,yvalue,zvalue; int varflag,iregion; char *xstr,*ystr,*zstr; char *idregion; int xvar,yvar,zvar,xstyle,ystyle,zstyle; double foriginal[3],foriginal_all[3]; int force_flag; int nlevels_respa,ilevel_respa; int maxatom; double **sforce; }; } #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 setforce does not exist Self-explanatory. E: Variable name for fix setforce does not exist Self-explanatory. E: Variable for fix setforce is invalid style Only equal-style variables can be used. E: Cannot use non-zero forces in an energy minimization Fix setforce cannot be used in this manner. Use fix addforce instead. */