48 lines
2.0 KiB
C++
48 lines
2.0 KiB
C++
/* ----------------------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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https://www.lammps.org/, Sandia National Laboratories
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Steve Plimpton, sjplimp@sandia.gov
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Copyright (2003) Sandia Corporation. Under the terms of Contract
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DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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certain rights in this software. This software is distributed under
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the GNU General Public License.
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See the README file in the top-level LAMMPS directory.
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Contributing author: Maxim Shugaev (UVA), mvs9t@virginia.edu
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------------------------------------------------------------------------- */
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#include "atom_vec_mesont.h"
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#include "atom.h"
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using namespace LAMMPS_NS;
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/* ---------------------------------------------------------------------- */
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AtomVecMesoNT::AtomVecMesoNT(LAMMPS *lmp) : AtomVec(lmp)
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{
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molecular = Atom::ATOMIC;
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mass_type = PER_TYPE;
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atom->mesont_flag = 1;
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// strings with peratom variables to include in each AtomVec method
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// strings cannot contain fields in corresponding AtomVec default strings
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// order of fields in a string does not matter
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// except: fields_data_atom & fields_data_vel must match data file
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fields_grow = {"rmass", "radius", "length", "buckling", "bond_nt", "molecule"};
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fields_copy = {"rmass", "radius", "length", "buckling", "bond_nt", "molecule"};
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fields_border = {"rmass", "radius", "length", "buckling", "bond_nt", "molecule"};
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fields_border_vel = {"rmass", "radius", "length", "buckling", "bond_nt", "molecule"};
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fields_exchange = {"rmass", "radius", "length", "buckling", "bond_nt", "molecule"};
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fields_restart = {"rmass", "radius", "length", "buckling", "bond_nt", "molecule"};
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fields_create = {"rmass", "radius", "length", "buckling", "bond_nt", "molecule"};
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fields_data_atom = {"id", "molecule", "type", "bond_nt", "rmass",
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"radius", "length", "buckling", "x"};
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fields_data_vel = {"id", "v"};
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setup_fields();
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}
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