diff --git a/src/KOKKOS/nbin_kokkos.cpp b/src/KOKKOS/nbin_kokkos.cpp index 2ca2a83b5a..c35c349675 100644 --- a/src/KOKKOS/nbin_kokkos.cpp +++ b/src/KOKKOS/nbin_kokkos.cpp @@ -23,8 +23,6 @@ using namespace LAMMPS_NS; -enum{NSQ,BIN,MULTI}; // also in Neighbor - #define SMALL 1.0e-6 #define CUT2BIN_RATIO 100 diff --git a/src/KOKKOS/neigh_list_kokkos.cpp b/src/KOKKOS/neigh_list_kokkos.cpp index 98294a802a..93cf0af937 100644 --- a/src/KOKKOS/neigh_list_kokkos.cpp +++ b/src/KOKKOS/neigh_list_kokkos.cpp @@ -17,8 +17,6 @@ using namespace LAMMPS_NS; -enum{NSQ,BIN,MULTI}; - /* ---------------------------------------------------------------------- */ template diff --git a/src/KOKKOS/neighbor_kokkos.cpp b/src/KOKKOS/neighbor_kokkos.cpp index 72092aef0b..6cd5c4e6e5 100644 --- a/src/KOKKOS/neighbor_kokkos.cpp +++ b/src/KOKKOS/neighbor_kokkos.cpp @@ -33,8 +33,6 @@ using namespace LAMMPS_NS; -enum{NSQ,BIN,MULTI}; // also in neigh_list.cpp - /* ---------------------------------------------------------------------- */ NeighborKokkos::NeighborKokkos(LAMMPS *lmp) : Neighbor(lmp), @@ -98,7 +96,7 @@ void NeighborKokkos::init_cutneighsq_kokkos(int n) void NeighborKokkos::create_kokkos_list(int i) { - if (style != BIN) + if (style != Neighbor::BIN) error->all(FLERR,"KOKKOS package only supports 'bin' neighbor lists"); if (requests[i]->kokkos_device) { @@ -300,7 +298,7 @@ void NeighborKokkos::build_kokkos(int topoflag) // if bin then, atoms may have moved outside of proc domain & bin extent, // leading to errors or even a crash - if (style != NSQ) { + if (style != Neighbor::NSQ) { for (int i = 0; i < nbin; i++) { neigh_bin[i]->bin_atoms_setup(nall); neigh_bin[i]->bin_atoms(); diff --git a/src/USER-INTEL/fix_intel.cpp b/src/USER-INTEL/fix_intel.cpp index 124c7a9c76..7a206f472a 100644 --- a/src/USER-INTEL/fix_intel.cpp +++ b/src/USER-INTEL/fix_intel.cpp @@ -55,8 +55,6 @@ using namespace FixConst; #endif #endif -enum{NSQ,BIN,MULTI}; - /* ---------------------------------------------------------------------- */ FixIntel::FixIntel(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg) @@ -353,7 +351,7 @@ void FixIntel::init() void FixIntel::setup(int vflag) { - if (neighbor->style != BIN) + if (neighbor->style != Neighbor::BIN) error->all(FLERR, "Currently, neighbor style BIN must be used with Intel package."); if (neighbor->exclude_setting() != 0) diff --git a/src/nbin_standard.cpp b/src/nbin_standard.cpp index e6941014f9..9a28121384 100644 --- a/src/nbin_standard.cpp +++ b/src/nbin_standard.cpp @@ -22,8 +22,6 @@ using namespace LAMMPS_NS; -enum{NSQ,BIN,MULTI}; // also in Neighbor - #define SMALL 1.0e-6 #define CUT2BIN_RATIO 100 @@ -94,7 +92,7 @@ void NBinStandard::setup_bins(int style) double binsize_optimal; if (binsizeflag) binsize_optimal = binsize_user; - else if (style == BIN) binsize_optimal = 0.5*cutneighmax; + else if (style == Neighbor::BIN) binsize_optimal = 0.5*cutneighmax; else binsize_optimal = 0.5*cutneighmin; if (binsize_optimal == 0.0) binsize_optimal = bbox[0]; double binsizeinv = 1.0/binsize_optimal; diff --git a/src/neigh_list.cpp b/src/neigh_list.cpp index 2851bae14f..6bdb9beae6 100644 --- a/src/neigh_list.cpp +++ b/src/neigh_list.cpp @@ -26,8 +26,6 @@ using namespace LAMMPS_NS; #define PGDELTA 1 -enum{NSQ,BIN,MULTI}; // also in Neighbor - /* ---------------------------------------------------------------------- */ NeighList::NeighList(LAMMPS *lmp) : Pointers(lmp) diff --git a/src/neighbor.cpp b/src/neighbor.cpp index d5cb83b37d..912a636227 100644 --- a/src/neighbor.cpp +++ b/src/neighbor.cpp @@ -57,7 +57,6 @@ using namespace NeighConst; #define BIG 1.0e20 -enum{NSQ,BIN,MULTI}; // also in NBin, NeighList, NStencil enum{NONE,ALL,PARTIAL,TEMPLATE}; static const char cite_neigh_multi[] = @@ -85,7 +84,7 @@ pairclass(NULL), pairnames(NULL), pairmasks(NULL) firsttime = 1; - style = BIN; + style = Neighbor::BIN; every = 1; delay = 10; dist_check = 1; @@ -651,7 +650,7 @@ int Neighbor::init_pair() // at time of binning when neighbor lists are rebuilt, // similar to what vanilla Nbin::coord2atom() does now in atom2bin - if (style == BIN) { + if (style == Neighbor::BIN) { for (i = 0; i < nrequest; i++) if (requests[i]->occasional && requests[i]->ghost) error->all(FLERR,"Cannot request an occasional binned neighbor list " @@ -1420,7 +1419,7 @@ void Neighbor::print_pairwise_info() bbox[1] = bboxhi[1]-bboxlo[1]; bbox[2] = bboxhi[2]-bboxlo[2]; if (binsizeflag) binsize = binsize_user; - else if (style == BIN) binsize = 0.5*cutneighmax; + else if (style == Neighbor::BIN) binsize = 0.5*cutneighmax; else binsize = 0.5*cutneighmin; if (binsize == 0.0) binsize = bbox[0]; @@ -1445,7 +1444,7 @@ void Neighbor::print_pairwise_info() oneatom, pgsize); fprintf(out," master list distance cutoff = %g\n",cutneighmax); fprintf(out," ghost atom cutoff = %g\n",cutghost); - if (style != NSQ) + if (style != Neighbor::NSQ) fprintf(out," binsize = %g, bins = %g %g %g\n",binsize, ceil(bbox[0]/binsize), ceil(bbox[1]/binsize), ceil(bbox[2]/binsize)); @@ -1595,7 +1594,7 @@ int Neighbor::choose_bin(NeighRequest *rq) { // no binning needed - if (style == NSQ) return 0; + if (style == Neighbor::NSQ) return 0; if (rq->skip || rq->copy || rq->halffull) return 0; // use request settings to match exactly one NBin class mask @@ -1635,7 +1634,7 @@ int Neighbor::choose_stencil(NeighRequest *rq) { // no stencil creation needed - if (style == NSQ) return 0; + if (style == Neighbor::NSQ) return 0; if (rq->skip || rq->copy || rq->halffull) return 0; // convert newton request to newtflag = on or off @@ -1686,9 +1685,9 @@ int Neighbor::choose_stencil(NeighRequest *rq) // neighbor style is BIN or MULTI and must match - if (style == BIN) { + if (style == Neighbor::BIN) { if (!(mask & NS_BIN)) continue; - } else if (style == MULTI) { + } else if (style == Neighbor::MULTI) { if (!(mask & NS_MULTI)) continue; } @@ -1817,11 +1816,11 @@ int Neighbor::choose_pair(NeighRequest *rq) // neighbor style is one of NSQ,BIN,MULTI and must match - if (style == NSQ) { + if (style == Neighbor::NSQ) { if (!(mask & NP_NSQ)) continue; - } else if (style == BIN) { + } else if (style == Neighbor::BIN) { if (!(mask & NP_BIN)) continue; - } else if (style == MULTI) { + } else if (style == Neighbor::MULTI) { if (!(mask & NP_MULTI)) continue; } @@ -2063,7 +2062,7 @@ void Neighbor::build(int topoflag) // if bin then, atoms may have moved outside of proc domain & bin extent, // leading to errors or even a crash - if (style != NSQ) { + if (style != Neighbor::NSQ) { for (int i = 0; i < nbin; i++) { neigh_bin[i]->bin_atoms_setup(nall); neigh_bin[i]->bin_atoms(); @@ -2180,12 +2179,12 @@ void Neighbor::set(int narg, char **arg) skin = force->numeric(FLERR,arg[0]); if (skin < 0.0) error->all(FLERR,"Illegal neighbor command"); - if (strcmp(arg[1],"nsq") == 0) style = NSQ; - else if (strcmp(arg[1],"bin") == 0) style = BIN; - else if (strcmp(arg[1],"multi") == 0) style = MULTI; + if (strcmp(arg[1],"nsq") == 0) style = Neighbor::NSQ; + else if (strcmp(arg[1],"bin") == 0) style = Neighbor::BIN; + else if (strcmp(arg[1],"multi") == 0) style = Neighbor::MULTI; else error->all(FLERR,"Illegal neighbor command"); - if (style == MULTI && lmp->citeme) lmp->citeme->add(cite_neigh_multi); + if (style == Neighbor::MULTI && lmp->citeme) lmp->citeme->add(cite_neigh_multi); } /* ---------------------------------------------------------------------- diff --git a/src/neighbor.h b/src/neighbor.h index 12f90556c2..751beeae4b 100644 --- a/src/neighbor.h +++ b/src/neighbor.h @@ -21,6 +21,7 @@ namespace LAMMPS_NS { class Neighbor : protected Pointers { public: + enum{NSQ,BIN,MULTI}; int style; // 0,1,2 = nsq, bin, multi int every; // build every this many steps int delay; // delay build for this many steps diff --git a/src/nstencil.cpp b/src/nstencil.cpp index 18e815d0c9..431906e898 100644 --- a/src/nstencil.cpp +++ b/src/nstencil.cpp @@ -22,8 +22,6 @@ using namespace LAMMPS_NS; -enum{NSQ,BIN,MULTI}; // also in Neighbor - /* ---------------------------------------------------------------------- NStencil classes each has method to create a stencil = list of bin offsets @@ -161,7 +159,7 @@ void NStencil::create_setup() // reallocate stencil structs if necessary // for BIN and MULTI styles - if (neighstyle == BIN) { + if (neighstyle == Neighbor::BIN) { if (smax > maxstencil) { maxstencil = smax; memory->destroy(stencil); @@ -227,10 +225,10 @@ double NStencil::bin_distance(int i, int j, int k) bigint NStencil::memory_usage() { bigint bytes = 0; - if (neighstyle == BIN) { + if (neighstyle == Neighbor::BIN) { bytes += memory->usage(stencil,maxstencil); bytes += memory->usage(stencilxyz,maxstencil,3); - } else if (neighstyle == MULTI) { + } else if (neighstyle == Neighbor::MULTI) { bytes += atom->ntypes*maxstencil_multi * sizeof(int); bytes += atom->ntypes*maxstencil_multi * sizeof(double); }