diff --git a/src/USER-ACKLAND/compute_ackland_atom.cpp b/src/USER-ACKLAND/compute_ackland_atom.cpp index 6ded5cf4ff624b5b84acc98644e7ea7b2cc2edf6..536631f314edeec29886768030d496855fb82e73 100644 --- a/src/USER-ACKLAND/compute_ackland_atom.cpp +++ b/src/USER-ACKLAND/compute_ackland_atom.cpp @@ -85,6 +85,13 @@ void ComputeAcklandAtom::init() error->warning("More than one compute ackland/atom"); } +/* ---------------------------------------------------------------------- */ + +void ComputeAcklandAtom::init_list(int id, NeighList *ptr) +{ + list = ptr; +} + /* ---------------------------------------------------------------------- */ void ComputeAcklandAtom::compute_peratom() { diff --git a/src/USER-ACKLAND/compute_ackland_atom.h b/src/USER-ACKLAND/compute_ackland_atom.h index a4d56713f5846a2b8befa3574c2418d11179f0ae..1c10110a45357493d711ee9a2ca97690c1d74b06 100644 --- a/src/USER-ACKLAND/compute_ackland_atom.h +++ b/src/USER-ACKLAND/compute_ackland_atom.h @@ -23,6 +23,7 @@ class ComputeAcklandAtom : public Compute { ComputeAcklandAtom(class LAMMPS *, int, char **); ~ComputeAcklandAtom(); void init(); + void init_list(int, class NeighList *); void compute_peratom(); double memory_usage(); diff --git a/src/neighbor.cpp b/src/neighbor.cpp index fa4790ba2a53d3d304773b7f2368280de4fa6fca..6b906ed9922836fdb0be1f3d76de710c5883cb61 100644 --- a/src/neighbor.cpp +++ b/src/neighbor.cpp @@ -470,7 +470,7 @@ void Neighbor::init() if (requests[i]->pair && requests[i]->half && requests[i]->skip == 0) { for (j = 0; j < nlist; j++) - if (requests[i]->pair && requests[j]->full && + if (requests[j]->pair && requests[j]->full && requests[j]->skip == 0) break; if (j < nlist) { requests[i]->half = 0;