diff --git a/src/npair_multi.cpp b/src/npair_multi.cpp index e74e16470a..7cfb3b836b 100644 --- a/src/npair_multi.cpp +++ b/src/npair_multi.cpp @@ -92,6 +92,8 @@ void NPairMulti::build(NeighList *list) for (i = 0; i < nlocal; i++) { n = 0; neighptr = ipage->vget(); + + itag = tag[i]; itype = type[i]; icollection = collection[i]; xtmp = x[i][0]; diff --git a/src/nstencil_multi.cpp b/src/nstencil_multi.cpp index 8e504cc9b9..a73215a058 100644 --- a/src/nstencil_multi.cpp +++ b/src/nstencil_multi.cpp @@ -95,6 +95,8 @@ void NStencilMulti::create() // Half and ortho stencils include central bin first // This preserves the historical order of the neighbor list // as the old npair classes used to separately parse the central bin first + // This !TRI condition (and the one below) are now unnecessary + // since triclinic only uses full stencils - kept the flags for clarity if (HALF && (!TRI)) if (half_flag) stencil_multi[icollection][jcollection][ns++] = 0; @@ -119,7 +121,7 @@ void NStencilMulti::create() } } } - if (bin_distance_multi(i,j,k,bin_collection) < cutsq) + if (bin_distance_multi(i, j, k, bin_collection) < cutsq) stencil_multi[icollection][jcollection][ns++] = k * mbiny * mbinx + j * mbinx + i; } }