/* ---------------------------------------------------------------------- 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(wall/bounceback,FixWallBounceback) #else #ifndef LMP_FIX_WALL_BOUNCEBACK_H #define LMP_FIX_WALL_BOUNCEBACK_H #include "fix.h" namespace LAMMPS_NS { class FixWallBounceback : public Fix { public: FixWallBounceback(class LAMMPS *, int, char **); virtual ~FixWallBounceback(); int setmask(); void init(); void init_list(int, class NeighList *); void compute(); void setup(int); void min_setup(int); //void post_integrate(); void post_force(int); void min_post_force(int); //double compute_scalar(); // double compute_vector(int); protected: int nwall; int wallnormalside[2]; //double coord0[1]; //char *varstr[1]; //int varindex[1]; int moveflag; double xscale,yscale,zscale; }; } #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: Wall defined twice in fix wall/reflect command Self-explanatory. E: Cannot use fix wall/reflect in periodic dimension Self-explanatory. E: Cannot use fix wall/reflect zlo/zhi for a 2d simulation Self-explanatory. E: Variable name for fix wall/reflect does not exist Self-explanatory. E: Variable for fix wall/reflect is invalid style Only equal-style variables can be used. W: Should not allow rigid bodies to bounce off relecting walls LAMMPS allows this, but their dynamics are not computed correctly. U: Use of fix wall with undefined lattice Must use lattice command with fix wall command if units option is set to lattice. */