50 lines
1.5 KiB
C++
50 lines
1.5 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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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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------------------------------------------------------------------------- */
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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(lj/spica/coul/msm/omp,PairLJSPICACoulMSMOMP);
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PairStyle(lj/sdk/coul/msm/omp,PairLJSPICACoulMSMOMP);
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// clang-format on
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#else
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#ifndef LMP_PAIR_LJ_SPICA_COUL_MSM_OMP_H
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#define LMP_PAIR_LJ_SPICA_COUL_MSM_OMP_H
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#include "pair_lj_spica_coul_msm.h"
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#include "thr_omp.h"
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namespace LAMMPS_NS {
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class PairLJSPICACoulMSMOMP : public PairLJSPICACoulMSM, public ThrOMP {
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public:
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PairLJSPICACoulMSMOMP(class LAMMPS *);
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void compute(int, int) override;
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double memory_usage() override;
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private:
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template <int EVFLAG, int EFLAG, int NEWTON_PAIR>
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void eval_msm_thr(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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