47 lines
1.3 KiB
C++
47 lines
1.3 KiB
C++
/* -*- 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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LAMMPS development team: developers@lammps.org
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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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------------------------------------------------------------------------- */
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#ifdef ATOM_CLASS
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// clang-format off
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AtomStyle(wavepacket,AtomVecWavepacket);
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// clang-format on
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#else
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#ifndef LMP_ATOM_VEC_WAVEPACKET_H
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#define LMP_ATOM_VEC_WAVEPACKET_H
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#include "atom_vec.h"
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namespace LAMMPS_NS {
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class AtomVecWavepacket : virtual public AtomVec {
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public:
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AtomVecWavepacket(class LAMMPS *);
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void grow_pointers() override;
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void force_clear(int, size_t) override;
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void create_atom_post(int) override;
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void data_atom_post(int) override;
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int property_atom(const std::string &) override;
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void pack_property_atom(int, double *, int, int) override;
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private:
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int *spin;
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double *q, *eradius, *ervel, *erforce;
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};
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} // namespace LAMMPS_NS
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#endif
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#endif
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