diff --git a/src/compute_aggregate_atom.cpp b/src/compute_aggregate_atom.cpp index b3daf5f98c..f92bf02cba 100644 --- a/src/compute_aggregate_atom.cpp +++ b/src/compute_aggregate_atom.cpp @@ -121,7 +121,7 @@ void ComputeAggregateAtom::compute_peratom() // invoke full neighbor list (will copy or build if necessary) - neighbor->build_one(list,1); + neighbor->build_one(list); // if group is dynamic, insure ghost atom masks are current diff --git a/src/compute_cluster_atom.cpp b/src/compute_cluster_atom.cpp index d01402d480..5ee6368504 100644 --- a/src/compute_cluster_atom.cpp +++ b/src/compute_cluster_atom.cpp @@ -113,7 +113,7 @@ void ComputeClusterAtom::compute_peratom() // invoke full neighbor list (will copy or build if necessary) - neighbor->build_one(list,1); + neighbor->build_one(list); inum = list->inum; ilist = list->ilist; diff --git a/src/neighbor.cpp b/src/neighbor.cpp index cc2e5d6d11..46b921191b 100644 --- a/src/neighbor.cpp +++ b/src/neighbor.cpp @@ -2144,7 +2144,7 @@ void Neighbor::build_one(class NeighList *mylist, int preflag) NPair *np = neigh_pair[mylist->index]; - if (preflag) { + if (preflag || update->firststep == update->ntimestep) { if (np->last_build > lastcall) return; } else { if (np->last_build >= lastcall) return;