1 // clang-format off 2 /* -*- c++ -*- ---------------------------------------------------------- 3 LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator 4 https://www.lammps.org/, Sandia National Laboratories 5 Steve Plimpton, sjplimp@sandia.gov 6 7 Copyright (2003) Sandia Corporation. Under the terms of Contract 8 DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains 9 certain rights in this software. This software is distributed under 10 the GNU General Public License. 11 12 See the README file in the top-level LAMMPS directory. 13 ------------------------------------------------------------------------- */ 14 15 #ifdef NPAIR_CLASS 16 // clang-format off 17 NPairStyle(skip/intel, 18 NPairSkipIntel, 19 NP_SKIP | NP_HALF | NP_FULL | 20 NP_NSQ | NP_BIN | NP_MULTI | 21 NP_NEWTON | NP_NEWTOFF | NP_ORTHO | NP_TRI | NP_INTEL); 22 23 NPairStyle(skip/ghost/intel, 24 NPairSkipIntel, 25 NP_SKIP | NP_HALF | NP_FULL | 26 NP_NSQ | NP_BIN | NP_MULTI | 27 NP_NEWTON | NP_NEWTOFF | NP_ORTHO | NP_TRI | NP_GHOST | NP_INTEL); 28 // clang-format on 29 #else 30 31 #ifndef LMP_NPAIR_SKIP_INTEL_H 32 #define LMP_NPAIR_SKIP_INTEL_H 33 34 #include "fix_intel.h" 35 #include "npair.h" 36 37 #if defined(_OPENMP) 38 #include <omp.h> 39 #endif 40 41 namespace LAMMPS_NS { 42 43 class NPairSkipIntel : public NPair { 44 public: 45 NPairSkipIntel(class LAMMPS *); 46 ~NPairSkipIntel(); 47 virtual void copy_neighbor_info(); 48 void build(class NeighList *); 49 50 protected: 51 FixIntel *_fix; 52 int *_inum_starts, *_inum_counts, *_full_props; 53 54 template <class flt_t, int THREE> 55 void build_t(NeighList *, int *numhalf, int *cnumneigh, int *numhalf_skip); 56 }; 57 58 } // namespace LAMMPS_NS 59 60 #endif 61 #endif 62 63 /* ERROR/WARNING messages: 64 65 E: The 'package intel' command is required for /intel styles 66 67 Self explanatory. 68 69 */ 70