/* ---------------------------------------------------------------------- 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. Contributing author: Maxim Shugaev (UVA), mvs9t@virginia.edu ------------------------------------------------------------------------- */ #include "atom_vec_mesont.h" #include "atom.h" using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ AtomVecMesoNT::AtomVecMesoNT(LAMMPS *lmp) : AtomVec(lmp) { molecular = Atom::ATOMIC; mass_type = PER_TYPE; atom->mesont_flag = 1; // strings with peratom variables to include in each AtomVec method // strings cannot contain fields in corresponding AtomVec default strings // order of fields in a string does not matter // except: fields_data_atom & fields_data_vel must match data file fields_grow = {"rmass", "radius", "length", "buckling", "bond_nt", "molecule"}; fields_copy = {"rmass", "radius", "length", "buckling", "bond_nt", "molecule"}; fields_border = {"rmass", "radius", "length", "buckling", "bond_nt", "molecule"}; fields_border_vel = {"rmass", "radius", "length", "buckling", "bond_nt", "molecule"}; fields_exchange = {"rmass", "radius", "length", "buckling", "bond_nt", "molecule"}; fields_restart = {"rmass", "radius", "length", "buckling", "bond_nt", "molecule"}; fields_create = {"rmass", "radius", "length", "buckling", "bond_nt", "molecule"}; fields_data_atom = {"id", "molecule", "type", "bond_nt", "rmass", "radius", "length", "buckling", "x"}; fields_data_vel = {"id", "v"}; setup_fields(); }