From fbb9787628c53edaa46404131f1e22699b70a33f Mon Sep 17 00:00:00 2001 From: sjplimp Date: Mon, 19 Jan 2009 17:36:55 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2500 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/compute_cna_atom.cpp | 6 ++++-- 1 file changed, 4 insertions(+), 2 deletions(-) diff --git a/src/compute_cna_atom.cpp b/src/compute_cna_atom.cpp index 6d7c44c8fa..7e7b014b60 100644 --- a/src/compute_cna_atom.cpp +++ b/src/compute_cna_atom.cpp @@ -80,8 +80,10 @@ void ComputeCNAAtom::init() if (sqrt(cutsq) > force->pair->cutforce) error->all("Compute cna/atom cutoff is longer than pairwise cutoff"); - double cutneighbor = force->pair->cutforce + neighbor->skin; - if (2.0*sqrt(cutsq) > cutneighbor && comm->me == 0) + // cannot use neighbor->cutneighmax b/c neighbor has not yet been init + + if (2.0*sqrt(cutsq) > force->pair->cutforce + neighbor->skin && + comm->me == 0) error->warning("Compute cna/atom cutoff may be too large to find " "ghost atom neighbors");