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fixed bug in triclinic case 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14800 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
athomps 2016-04-04 21:01:02 +00:00
parent aaa32cfd8b
commit 25992ae9f7
1 changed files with 2 additions and 2 deletions
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4
src/VORONOI/compute_voronoi_atom.cpp
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@ -260,8 +260,8 @@ void ComputeVoronoi::buildCells()
// cutghost is in lamda coordinates for triclinic boxes, use subxx_lamda
double *h = domain->h;
for( i=0; i<3; ++i ) {
sublo_bound[i] = sublo[i]-cut[i]-e;
subhi_bound[i] = subhi[i]+cut[i]+e;
sublo_bound[i] = sublo_lamda[i]-cut[i]-e;
subhi_bound[i] = subhi_lamda[i]+cut[i]+e;
if (domain->periodicity[i]==0) {
sublo_bound[i] = MAX(sublo_bound[i],0.0);
subhi_bound[i] = MIN(subhi_bound[i],1.0);