/* -*- 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(spring/chunk,FixSpringChunk) #else #ifndef LMP_FIX_SPRING_CHUNK_H #define LMP_FIX_SPRING_CHUNK_H #include "fix.h" namespace LAMMPS_NS { class FixSpringChunk : public Fix { public: FixSpringChunk(class LAMMPS *, int, char **); ~FixSpringChunk(); 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); void write_restart(FILE *); void restart(char *); double compute_scalar(); private: int ilevel_respa; double k_spring; double esprings; char *idchunk,*idcom; int nchunk; double **com0,**fcom; class ComputeChunkAtom *cchunk; class ComputeCOMChunk *ccom; }; } #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: Chunk/atom compute does not exist for fix spring/chunk UNDOCUMENTED E: Fix spring/chunk does not use chunk/atom compute UNDOCUMENTED E: Com/chunk compute does not exist for fix spring/chunk UNDOCUMENTED E: Fix spring/chunk does not use com/chunk compute UNDOCUMENTED E: Fix spring chunk chunkID not same as comID chunkID UNDOCUMENTED U: R0 < 0 for fix spring command Equilibrium spring length is invalid. U: Fix spring couple group ID does not exist Self-explanatory. U: Two groups cannot be the same in fix spring couple Self-explanatory. */