diff --git a/src/compute_aggregate_atom.cpp b/src/compute_aggregate_atom.cpp index f92bf02cba..674fecb8c0 100644 --- a/src/compute_aggregate_atom.cpp +++ b/src/compute_aggregate_atom.cpp @@ -120,8 +120,10 @@ void ComputeAggregateAtom::compute_peratom() } // invoke full neighbor list (will copy or build if necessary) + // on the first step of a run, set preflag to one in neighbor->build_one(...) - neighbor->build_one(list); + if (update->firststep == update->ntimestep) neighbor->build_one(list,1); + else 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 5ee6368504..9a7df03e49 100644 --- a/src/compute_cluster_atom.cpp +++ b/src/compute_cluster_atom.cpp @@ -112,8 +112,10 @@ void ComputeClusterAtom::compute_peratom() } // invoke full neighbor list (will copy or build if necessary) + // on the first step of a run, set preflag to one in neighbor->build_one(...) - neighbor->build_one(list); + if (update->firststep == update->ntimestep) neighbor->build_one(list,1); + else neighbor->build_one(list); inum = list->inum; ilist = list->ilist; diff --git a/src/compute_hexorder_atom.cpp b/src/compute_hexorder_atom.cpp index 013036f364..85324651c1 100644 --- a/src/compute_hexorder_atom.cpp +++ b/src/compute_hexorder_atom.cpp @@ -154,8 +154,10 @@ void ComputeHexOrderAtom::compute_peratom() } // invoke full neighbor list (will copy or build if necessary) + // on the first step of a run, set preflag to one in neighbor->build_one(...) - neighbor->build_one(list); + if (update->firststep == update->ntimestep) neighbor->build_one(list,1); + else neighbor->build_one(list); inum = list->inum; ilist = list->ilist; diff --git a/src/neighbor.cpp b/src/neighbor.cpp index 46b921191b..cc2e5d6d11 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 || update->firststep == update->ntimestep) { + if (preflag) { if (np->last_build > lastcall) return; } else { if (np->last_build >= lastcall) return;