/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator https://www.lammps.org/, 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 ATOM_CLASS // clang-format off AtomStyle(hybrid,AtomVecHybrid); // clang-format on #else #ifndef LMP_ATOM_VEC_HYBRID_H #define LMP_ATOM_VEC_HYBRID_H #include "atom_vec.h" namespace LAMMPS_NS { class AtomVecHybrid : public AtomVec { public: int nstyles; class AtomVec **styles; char **keywords; AtomVecHybrid(class LAMMPS *); ~AtomVecHybrid(); void process_args(int, char **); void init(); void grow_pointers(); void force_clear(int, size_t); void copy_bonus(int, int, int); void clear_bonus(); int pack_comm_bonus(int, int *, double *); void unpack_comm_bonus(int, int, double *); int pack_border_bonus(int, int *, double *); int unpack_border_bonus(int, int, double *); int pack_exchange_bonus(int, double *); int unpack_exchange_bonus(int, double *); int size_restart_bonus(); int pack_restart_bonus(int, double *); int unpack_restart_bonus(int, double *); double memory_usage_bonus(); void pack_restart_pre(int); void pack_restart_post(int); void unpack_restart_init(int); void create_atom_post(int); void data_atom_post(int); void pack_data_pre(int); void pack_data_post(int); int pack_data_bonus(double *, int); void write_data_bonus(FILE *, int, double *, int); int property_atom(char *); void pack_property_atom(int, double *, int, int); private: int nallstyles; char **allstyles; int fields_allocated; struct FieldStrings { char **fstr; }; FieldStrings *fieldstrings; int nstyles_bonus; class AtomVec **styles_bonus; char *merge_fields(int, char *, int, char *&); void build_styles(); int known_style(char *); }; } // namespace LAMMPS_NS #endif #endif /* ERROR/WARNING messages: E: Atom style hybrid cannot have hybrid as an argument Self-explanatory. E: Atom style hybrid cannot use same atom style twice Self-explanatory. E: Cannot mix molecular and molecule template atom styles Self-explanatory. E: Per-processor system is too big The number of owned atoms plus ghost atoms on a single processor must fit in 32-bit integer. E: Invalid atom type in Atoms section of data file Atom types must range from 1 to specified # of types. */