lijiext
/
lammps
mirror of https://github.com/lammps/lammps.git
1
0
Fork 1
Code Issues Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2500 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2009-01-19 17:36:55 +00:00
parent eaaba081ef
commit fbb9787628
1 changed files with 4 additions and 2 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

6
src/compute_cna_atom.cpp
View File

@ -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");