fix missing pairs within same bin

2024-06-20 22:33:11 -05:00
parent f9a95f7256
commit 663aa8aa80
1 changed files with 1 additions and 1 deletions
--- a/src/KOKKOS/npair_kokkos.cpp
+++ b/src/KOKKOS/npair_kokkos.cpp
@ -1438,7 +1438,7 @@ void NeighborKokkosExecute<DeviceType>::build_ItemSizeGPU(typename Kokkos::TeamP
    for (int k = 0; k < nstencil; k++) {
      const int jbin = ibin + stencil[k];

-      if (ibin == jbin) continue;
+      //if (ibin == jbin) continue;
      if (HalfNeigh && Newton && !Tri && (ibin == jbin)) continue;

      bincount_current = c_bincount[jbin];