From 60da95b7553974621dc690f2e02abef2de98a097 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Thu, 4 Oct 2007 19:32:14 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@953 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/USER-ACKLAND/compute_ackland_atom.cpp | 7 +++++++ src/USER-ACKLAND/compute_ackland_atom.h | 1 + src/neighbor.cpp | 2 +- 3 files changed, 9 insertions(+), 1 deletion(-) diff --git a/src/USER-ACKLAND/compute_ackland_atom.cpp b/src/USER-ACKLAND/compute_ackland_atom.cpp index 6ded5cf4ff..536631f314 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 a4d56713f5..1c10110a45 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 fa4790ba2a..6b906ed992 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;