/* -*- 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(line,AtomVecLine); // clang-format on #else #ifndef LMP_ATOM_VEC_LINE_H #define LMP_ATOM_VEC_LINE_H #include "atom_vec.h" namespace LAMMPS_NS { class AtomVecLine : public AtomVec { public: struct Bonus { double length, theta; int ilocal; }; struct Bonus *bonus; AtomVecLine(class LAMMPS *); ~AtomVecLine() override; void init() 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_atom_bonus(int, const std::vector &) 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; // unique to AtomVecLine void set_length(int, double); int nlocal_bonus; private: int *line; double *radius, *rmass; double **omega; int nghost_bonus, nmax_bonus; int line_flag; double rmass_one; void grow_bonus(); void copy_bonus_all(int, int); // void consistency_check(int, char *); }; } // namespace LAMMPS_NS #endif #endif /* ERROR/WARNING messages: E: Atom_style line can only be used in 2d simulations 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. E: Invalid density in Atoms section of data file Density value cannot be <= 0.0. E: Assigning line parameters to non-line atom Self-explanatory. E: Inconsistent line segment in data file The end points of the line segment are not equal distances from the center point which is the atom coordinate. */