diff --git a/src/USER-DPD/nbin_ssa.cpp b/src/USER-DPD/nbin_ssa.cpp index 5dacf52ee1..4c57a8e70f 100644 --- a/src/USER-DPD/nbin_ssa.cpp +++ b/src/USER-DPD/nbin_ssa.cpp @@ -76,7 +76,6 @@ void NBinSSA::bin_atoms() int nowned = atom->nlocal; // NOTE: nlocal was set to atom->nfirst above for (i = nall-1; i >= nowned; i--) { ibin = coord2ssaAIR(x[i]); - atom2bin[i] = ibin; if (ibin < 1) continue; // skip ghost atoms not in AIR if (mask[i] & bitmask) { bins[i] = gairhead_ssa[ibin]; @@ -86,7 +85,6 @@ void NBinSSA::bin_atoms() } else { for (i = nall-1; i >= nlocal; i--) { ibin = coord2ssaAIR(x[i]); - atom2bin[i] = ibin; if (ibin < 1) continue; // skip ghost atoms not in AIR bins[i] = gairhead_ssa[ibin]; gairhead_ssa[ibin] = i; @@ -94,7 +92,6 @@ void NBinSSA::bin_atoms() } for (i = nlocal-1; i >= 0; i--) { ibin = coord2bin(x[i][0], x[i][1], x[i][2], xbin, ybin, zbin); - atom2bin[i] = ibin; // Find the bounding box of the local atoms in the bins if (xbin < lbinxlo) lbinxlo = xbin; if (xbin >= lbinxhi) lbinxhi = xbin + 1; diff --git a/src/USER-DPD/npair_half_bin_newton_ssa.cpp b/src/USER-DPD/npair_half_bin_newton_ssa.cpp index 221aa5b454..a6479d4c4f 100644 --- a/src/USER-DPD/npair_half_bin_newton_ssa.cpp +++ b/src/USER-DPD/npair_half_bin_newton_ssa.cpp @@ -251,7 +251,7 @@ void NPairHalfBinNewtonSSA::build(NeighList *list) ytmp = x[i][1]; ztmp = x[i][2]; - ibin = atom2bin[i]; + ibin = coord2bin(x[i],xbin,ybin,zbin); // loop over AIR ghost atoms in all bins in "full" stencil // Note: the non-AIR ghost atoms have already been filtered out