120 lines
4.5 KiB
C++
120 lines
4.5 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 NPAIR_CLASS
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// clang-format off
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typedef NPairMulti<0, 1, 0, 0, 0> NPairFullMulti;
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NPairStyle(full/multi,
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NPairFullMulti,
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NP_FULL | NP_MULTI | NP_MOLONLY |
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NP_NEWTON | NP_NEWTOFF | NP_ORTHO | NP_TRI);
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typedef NPairMulti<1, 0, 0, 0, 0> NPairHalfMultiNewtoff;
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NPairStyle(half/multi/newtoff,
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NPairHalfMultiNewtoff,
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NP_HALF | NP_MULTI | NP_MOLONLY | NP_NEWTOFF | NP_ORTHO | NP_TRI);
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typedef NPairMulti<1, 1, 0, 0, 0> NPairHalfMultiNewton;
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NPairStyle(half/multi/newton,
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NPairHalfMultiNewton,
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NP_HALF | NP_MULTI | NP_MOLONLY | NP_NEWTON | NP_ORTHO);
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typedef NPairMulti<1, 1, 1, 0, 0> NPairHalfMultiNewtonTri;
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NPairStyle(half/multi/newton/tri,
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NPairHalfMultiNewtonTri,
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NP_HALF | NP_MULTI | NP_MOLONLY | NP_NEWTON | NP_TRI);
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typedef NPairMulti<0, 1, 0, 1, 0> NPairFullSizeMulti;
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NPairStyle(full/size/multi,
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NPairFullSizeMulti,
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NP_FULL | NP_SIZE | NP_MULTI | NP_MOLONLY |
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NP_NEWTON | NP_NEWTOFF | NP_ORTHO | NP_TRI);
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typedef NPairMulti<1, 0, 0, 1, 0> NPairHalfSizeMultiNewtoff;
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NPairStyle(half/size/multi/newtoff,
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NPairHalfSizeMultiNewtoff,
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NP_HALF | NP_SIZE | NP_MULTI | NP_MOLONLY | NP_NEWTOFF | NP_ORTHO | NP_TRI);
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typedef NPairMulti<1, 1, 0, 1, 0> NPairHalfSizeMultiNewton;
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NPairStyle(half/size/multi/newton,
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NPairHalfSizeMultiNewton,
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NP_HALF | NP_SIZE | NP_MULTI | NP_MOLONLY | NP_NEWTON | NP_ORTHO);
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typedef NPairMulti<1, 1, 1, 1, 0> NPairHalfSizeMultiNewtonTri;
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NPairStyle(half/size/multi/newton/tri,
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NPairHalfSizeMultiNewtonTri,
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NP_HALF | NP_SIZE | NP_MULTI | NP_MOLONLY | NP_NEWTON | NP_TRI);
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typedef NPairMulti<0, 1, 0, 0, 1> NPairFullMultiAtomonly;
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NPairStyle(full/multi/atomonly,
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NPairFullMultiAtomonly,
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NP_FULL | NP_MULTI | NP_ATOMONLY |
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NP_NEWTON | NP_NEWTOFF | NP_ORTHO | NP_TRI);
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typedef NPairMulti<1, 0, 0, 0, 1> NPairHalfMultiAtomonlyNewtoff;
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NPairStyle(half/multi/atomonly/newtoff,
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NPairHalfMultiAtomonlyNewtoff,
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NP_HALF | NP_MULTI | NP_ATOMONLY | NP_NEWTOFF | NP_ORTHO | NP_TRI);
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typedef NPairMulti<1, 1, 0, 0, 1> NPairHalfMultiAtomonlyNewton;
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NPairStyle(half/multi/atomonly/newton,
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NPairHalfMultiAtomonlyNewton,
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NP_HALF | NP_MULTI | NP_ATOMONLY | NP_NEWTON | NP_ORTHO);
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typedef NPairMulti<1, 1, 1, 0, 1> NPairHalfMultiAtomonlyNewtonTri;
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NPairStyle(half/multi/atomonly/newton/tri,
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NPairHalfMultiAtomonlyNewtonTri,
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NP_HALF | NP_MULTI | NP_ATOMONLY | NP_NEWTON | NP_TRI);
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typedef NPairMulti<0, 1, 0, 1, 1> NPairFullSizeMultiAtomonly;
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NPairStyle(full/size/multi/atomonly,
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NPairFullSizeMultiAtomonly,
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NP_FULL | NP_SIZE | NP_MULTI | NP_ATOMONLY |
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NP_NEWTON | NP_NEWTOFF | NP_ORTHO | NP_TRI);
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typedef NPairMulti<1, 0, 0, 1, 1> NPairHalfSizeMultiAtomonlyNewtoff;
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NPairStyle(half/size/multi/atomonly/newtoff,
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NPairHalfSizeMultiAtomonlyNewtoff,
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NP_HALF | NP_SIZE | NP_MULTI | NP_ATOMONLY | NP_NEWTOFF | NP_ORTHO | NP_TRI);
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typedef NPairMulti<1, 1, 0, 1, 1> NPairHalfSizeMultiAtomonlyNewton;
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NPairStyle(half/size/multi/atomonly/newton,
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NPairHalfSizeMultiAtomonlyNewton,
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NP_HALF | NP_SIZE | NP_MULTI | NP_ATOMONLY | NP_NEWTON | NP_ORTHO);
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typedef NPairMulti<1, 1, 1, 1, 1> NPairHalfSizeMultiAtomonlyNewtonTri;
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NPairStyle(half/size/multi/atomonly/newton/tri,
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NPairHalfSizeMultiAtomonlyNewtonTri,
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NP_HALF | NP_SIZE | NP_MULTI | NP_ATOMONLY | NP_NEWTON | NP_TRI);
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// clang-format on
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#else
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#ifndef LMP_NPAIR_MULTI_H
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#define LMP_NPAIR_MULTI_H
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#include "npair.h"
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namespace LAMMPS_NS {
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template<int HALF, int NEWTON, int TRI, int SIZE, int ATOMONLY>
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class NPairMulti : public NPair {
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public:
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NPairMulti(class LAMMPS *);
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void build(class NeighList *) override;
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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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