/* -*- 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 COMMAND_CLASS CommandStyle(create_bonds,CreateBonds) #else #ifndef LMP_CREATE_BONDS_H #define LMP_CREATE_BONDS_H #include "pointers.h" namespace LAMMPS_NS { class CreateBonds : protected Pointers { public: CreateBonds(class LAMMPS *); void command(int, char **); private: inline int sbmask(int j) { return j >> SBBITS & 3; } }; } #endif #endif /* ERROR/WARNING messages: E: Create_bonds command before simulation box is defined Self-explanatory. E: Cannot use create_bonds unless atoms have IDs This command requires a mapping from global atom IDs to local atoms, but the atoms that have been defined have no IDs. E: Cannot use create_bonds with non-molecular system Self-explanatory. 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: Cannot find create_bonds group ID Self-explanatory. E: Invalid bond type in create_bonds command Self-explanatory. E: Create_bonds requires a pair style be defined Self-explanatory. E: Create_bonds max distance > neighbor cutoff Can only create bonds for atom pairs that will be in neighbor list. W: Create_bonds max distance > minimum neighbor cutoff This means atom pairs for some atom types may not be in the neighbor list and thus no bond can be created between them. E: Create_bonds command requires special_bonds 1-2 weights be 0.0 This is so that atom pairs that are already bonded to not appear in the neighbor list. E: Create_bonds command requires no kspace_style be defined This is so that atom pairs that are already bonded to not appear in the neighbor list. E: New bond exceeded bonds per atom in create_bonds See the read_data command for info on setting the "extra bond per atom" header value to allow for additional bonds to be formed. */