1 /* -*- c++ -*- ---------------------------------------------------------- 2 LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator 3 https://www.lammps.org/, Sandia National Laboratories 4 Steve Plimpton, sjplimp@sandia.gov 5 6 Copyright (2003) Sandia Corporation. Under the terms of Contract 7 DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains 8 certain rights in this software. This software is distributed under 9 the GNU General Public License. 10 11 See the README file in the top-level LAMMPS directory. 12 ------------------------------------------------------------------------- */ 13 14 /* ---------------------------------------------------------------------- 15 Contributing author: Axel Kohlmeyer (Temple U) 16 ------------------------------------------------------------------------- */ 17 18 #ifdef PAIR_CLASS 19 // clang-format off 20 PairStyle(eam/omp,PairEAMOMP); 21 // clang-format on 22 #else 23 24 #ifndef LMP_PAIR_EAM_OMP_H 25 #define LMP_PAIR_EAM_OMP_H 26 27 #include "pair_eam.h" 28 #include "thr_omp.h" 29 30 namespace LAMMPS_NS { 31 32 class PairEAMOMP : public PairEAM, public ThrOMP { 33 34 public: 35 PairEAMOMP(class LAMMPS *); 36 37 virtual void compute(int, int); 38 virtual double memory_usage(); 39 40 private: 41 template <int EVFLAG, int EFLAG, int NEWTON_PAIR> 42 void eval(int iifrom, int iito, ThrData *const thr); 43 }; 44 45 } // namespace LAMMPS_NS 46 47 #endif 48 #endif 49