/* -*- 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(body,AtomVecBody); // clang-format on #else #ifndef LMP_ATOM_VEC_BODY_H #define LMP_ATOM_VEC_BODY_H #include "atom_vec.h" namespace LAMMPS_NS { class AtomVecBody : public AtomVec { public: class Body *bptr; struct Bonus { double quat[4]; double inertia[3]; int ninteger, ndouble; int iindex, dindex; int *ivalue; double *dvalue; int ilocal; }; struct Bonus *bonus; AtomVecBody(class LAMMPS *); ~AtomVecBody() override; void process_args(int, char **) override; void grow_pointers() override; void copy_bonus(int, int, int) override; void clear_bonus() override; int pack_comm_bonus(int, int *, double *) override; void unpack_comm_bonus(int, int, double *) override; int pack_border_bonus(int, int *, double *) override; int unpack_border_bonus(int, int, double *) override; int pack_exchange_bonus(int, double *) override; int unpack_exchange_bonus(int, double *) override; int size_restart_bonus() override; int pack_restart_bonus(int, double *) override; int unpack_restart_bonus(int, double *) override; void data_body(int, int, int, int *, double *) override; double memory_usage_bonus() override; void create_atom_post(int) override; void data_atom_post(int) override; void pack_data_pre(int) override; void pack_data_post(int) override; int pack_data_bonus(double *, int) override; void write_data_bonus(FILE *, int, double *, int) override; // methods used by other classes to query/set body info double radius_body(int, int, int *, double *); void set_quat(int, double *); int nlocal_bonus; private: int *body; double *rmass, *radius; double **angmom; int nghost_bonus, nmax_bonus; int intdoubleratio; // sizeof(double) / sizeof(int) int body_flag; MyPoolChunk *icp; MyPoolChunk *dcp; void grow_bonus(); void copy_bonus_all(int, int); // check(int); }; } // namespace LAMMPS_NS #endif #endif