/* -*- 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 COMPUTE_CLASS ComputeStyle(reduce/chunk,ComputeReduceChunk) #else #ifndef LMP_COMPUTE_REDUCE_CHUNK_H #define LMP_COMPUTE_REDUCE_CHUNK_H #include "compute.h" namespace LAMMPS_NS { class ComputeReduceChunk : public Compute { public: ComputeReduceChunk(class LAMMPS *, int, char **); ~ComputeReduceChunk(); void init(); void compute_vector(); void compute_array(); void lock_enable(); void lock_disable(); int lock_length(); void lock(class Fix *, bigint, bigint); void unlock(class Fix *); double memory_usage(); private: int mode,nvalues; int *which,*argindex,*value2index; char *idchunk; char **ids; int nchunk; int maxchunk,maxatom; double initvalue; double *vlocal,*vglobal; double **alocal,**aglobal; double *varatom; class ComputeChunkAtom *cchunk; int *ichunk; void init_chunk(); void compute_one(int, double *, int); void combine(double &, double); }; } #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. */