44 lines
1.1 KiB
C++
44 lines
1.1 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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Steve Plimpton, sjplimp@sandia.gov
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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/* ----------------------------------------------------------------------
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Contributing author: Axel Kohlmeyer (Temple U)
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------------------------------------------------------------------------- */
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#ifdef PAIR_CLASS
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// clang-format off
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PairStyle(tersoff/omp,PairTersoffOMP);
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// clang-format on
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#else
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#ifndef LMP_PAIR_TERSOFF_OMP_H
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#define LMP_PAIR_TERSOFF_OMP_H
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#include "pair_tersoff.h"
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#include "thr_omp.h"
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namespace LAMMPS_NS {
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class PairTersoffOMP : public PairTersoff, public ThrOMP {
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public:
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PairTersoffOMP(class LAMMPS *);
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virtual void compute(int, int);
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virtual double memory_usage();
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private:
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template <int SHIFT_FLAG, int EVFLAG, int EFLAG, int VFLAG_ATOM>
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void eval(int ifrom, int ito, ThrData *const thr);
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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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