/* ---------------------------------------------------------------------- This is the ██╗ ██╗ ██████╗ ██████╗ ██████╗ ██╗ ██╗████████╗███████╗ ██║ ██║██╔════╝ ██╔════╝ ██╔════╝ ██║ ██║╚══██╔══╝██╔════╝ ██║ ██║██║ ███╗██║ ███╗██║ ███╗███████║ ██║ ███████╗ ██║ ██║██║ ██║██║ ██║██║ ██║██╔══██║ ██║ ╚════██║ ███████╗██║╚██████╔╝╚██████╔╝╚██████╔╝██║ ██║ ██║ ███████║ ╚══════╝╚═╝ ╚═════╝ ╚═════╝ ╚═════╝ ╚═╝ ╚═╝ ╚═╝ ╚══════╝® DEM simulation engine, released by DCS Computing Gmbh, Linz, Austria http://www.dcs-computing.com, office@dcs-computing.com LIGGGHTS® is part of CFDEM®project: http://www.liggghts.com | http://www.cfdem.com Core developer and main author: Christoph Kloss, christoph.kloss@dcs-computing.com LIGGGHTS® is open-source, distributed under the terms of the GNU Public License, version 2 or later. It is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. You should have received a copy of the GNU General Public License along with LIGGGHTS®. If not, see http://www.gnu.org/licenses . See also top-level README and LICENSE files. LIGGGHTS® and CFDEM® are registered trade marks of DCS Computing GmbH, the producer of the LIGGGHTS® software and the CFDEM®coupling software See http://www.cfdem.com/terms-trademark-policy for details. ------------------------------------------------------------------------- Contributing author and copyright for this file: This file is from LAMMPS 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. ------------------------------------------------------------------------- */ #ifdef COMPUTE_CLASS ComputeStyle(property/local,ComputePropertyLocal) #else #ifndef LMP_COMPUTE_PROPERTY_LOCAL_H #define LMP_COMPUTE_PROPERTY_LOCAL_H #include "compute.h" namespace LAMMPS_NS { class ComputePropertyLocal : public Compute { public: ComputePropertyLocal(class LAMMPS *, int &iarg, int, char **); ~ComputePropertyLocal(); void init(); void init_list(int, class NeighList *); void compute_local(); double memory_usage(); private: int nvalues,kindflag; int nmax; double *vector; double **array; double *buf; class NeighList *list; int ncount; int **indices; int count_pairs(int, int); int count_bonds(int); int count_angles(int); int count_dihedrals(int); int count_impropers(int); void reallocate(int); typedef void (ComputePropertyLocal::*FnPtrPack)(int); FnPtrPack *pack_choice; // ptrs to pack functions void pack_patom1(int); void pack_patom2(int); void pack_ptype1(int); void pack_ptype2(int); void pack_batom1(int); void pack_batom2(int); void pack_btype(int); void pack_aatom1(int); void pack_aatom2(int); void pack_aatom3(int); void pack_atype(int); void pack_datom1(int); void pack_datom2(int); void pack_datom3(int); void pack_datom4(int); void pack_dtype(int); void pack_iatom1(int); void pack_iatom2(int); void pack_iatom3(int); void pack_iatom4(int); void pack_itype(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: Compute property/local cannot use these inputs together Only inputs that generate the same number of datums can be used togther. E.g. bond and angle quantities cannot be mixed. E: Invalid keyword in compute property/local command Self-explanatory. E: Compute property/local for property that isn't allocated Self-explanatory. E: No pair style is defined for compute property/local Self-explanatory. E: Pair style does not support compute property/local The pair style does not have a single() function, so it can not be invoked by fix bond/swap. */