/* ---------------------------------------------------------------------- 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(pair/local,ComputePairLocal) #else #ifndef LMP_COMPUTE_PAIR_LOCAL_H #define LMP_COMPUTE_PAIR_LOCAL_H #include "compute.h" namespace LAMMPS_NS { class ComputePairLocal : public Compute { public: ComputePairLocal(class LAMMPS *, int, char **); ~ComputePairLocal(); void init(); void init_list(int, class NeighList *); void compute_local(); double memory_usage(); private: int nvalues; int ncount; int *pstyle; // style of each requested output int *pindex; // for pI, index of the output (0 to M-1) int singleflag; int nmax; double *vector; double **array; class NeighList *list; int compute_pairs(int); void reallocate(int); }; } #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: Invalid keyword in compute pair/local command Self-explanatory. E: No pair style is defined for compute pair/local Self-explanatory. E: Pair style does not support compute pair/local The pair style does not have a single() function, so it can not be invoked by compute pair/local. E: Pair style does not have extra field requested by compute pair/local The pair style does not support the pN value requested by the compute pair/local command. */