diff --git a/src/USER-MISC/compute_entropy_atom.cpp b/src/USER-MISC/compute_entropy_atom.cpp index 00f7e6dc8b..7d7a7d20cd 100644 --- a/src/USER-MISC/compute_entropy_atom.cpp +++ b/src/USER-MISC/compute_entropy_atom.cpp @@ -141,7 +141,7 @@ void ComputeEntropyAtom::init() neighbor->requests[irequest]->compute = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; - neighbor->requests[irequest]->occasional = 0; + neighbor->requests[irequest]->occasional = 1; if (avg_flag) { // need a full neighbor list with neighbors of the ghost atoms neighbor->requests[irequest]->ghost = 1; @@ -196,7 +196,11 @@ void ComputeEntropyAtom::compute_peratom() } } - inum = list->inum + list->gnum; + // invoke full neighbor list (will copy or build if necessary) + + neighbor->build_one(list); + + inum = list->inum + list->gnum; ilist = list->ilist; numneigh = list->numneigh; firstneigh = list->firstneigh;