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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5791 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2011-03-15 19:40:36 +00:00
parent 33f9e50821
commit c4c79006a1
1 changed files with 10 additions and 5 deletions
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15
src/neighbor.cpp
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@ -201,6 +201,16 @@ void Neighbor::init()
// ------------------------------------------------------------------
// settings
// bbox lo/hi = bounding box of entire domain, stored by Domain
if (triclinic == 0) {
bboxlo = domain->boxlo;
bboxhi = domain->boxhi;
} else {
bboxlo = domain->boxlo_bound;
bboxhi = domain->boxhi_bound;
}
// set neighbor cutoffs (force cutoff + skin)
// trigger determines when atoms migrate and neighbor lists are rebuilt
// needs to be non-zero for migration distance check
@ -1209,7 +1219,6 @@ void Neighbor::build_one(int i)
void Neighbor::setup_bins()
{
// bbox lo/hi = bounding box of entire domain
// bbox = size of bbox of entire domain
// bsubbox lo/hi = bounding box of my subdomain extended by comm->cutghost
// for triclinic:
@ -1222,8 +1231,6 @@ void Neighbor::setup_bins()
double *cutghost = comm->cutghost;
if (triclinic == 0) {
bboxlo = domain->boxlo;
bboxhi = domain->boxhi;
bsubboxlo[0] = domain->sublo[0] - cutghost[0];
bsubboxlo[1] = domain->sublo[1] - cutghost[1];
bsubboxlo[2] = domain->sublo[2] - cutghost[2];
@ -1231,8 +1238,6 @@ void Neighbor::setup_bins()
bsubboxhi[1] = domain->subhi[1] + cutghost[1];
bsubboxhi[2] = domain->subhi[2] + cutghost[2];
} else {
bboxlo = domain->boxlo_bound;
bboxhi = domain->boxhi_bound;
double lo[3],hi[3];
lo[0] = domain->sublo_lamda[0] - cutghost[0];
lo[1] = domain->sublo_lamda[1] - cutghost[1];