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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10454 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2013-07-26 20:56:54 +00:00
parent e2354fbd7f
commit 53eea64571
2 changed files with 5 additions and 0 deletions
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4
src/neigh_derive.cpp
View File

@ -334,6 +334,7 @@ void Neighbor::skip_from_respa(NeighList *list)
int **ijskip = list->ijskip;
NeighList *listinner = list->listinner;
int *ilist_inner = listinner->ilist;
int *numneigh_inner = listinner->numneigh;
int **firstneigh_inner = listinner->firstneigh;
MyPage<int> *ipage_inner = listinner->ipage;
@ -348,6 +349,7 @@ void Neighbor::skip_from_respa(NeighList *list)
int respamiddle = list->respamiddle;
if (respamiddle) {
listmiddle = list->listmiddle;
ilist_middle = listmiddle->ilist;
numneigh_middle = listmiddle->numneigh;
firstneigh_middle = listmiddle->firstneigh;
ipage_middle = listmiddle->ipage;
@ -422,6 +424,7 @@ void Neighbor::skip_from_respa(NeighList *list)
if (ipage->status())
error->one(FLERR,"Neighbor list overflow, boost neigh_modify one");
ilist_inner[inum] = i;
firstneigh_inner[i] = neighptr_inner;
numneigh_inner[i] = n_inner;
ipage_inner->vgot(n);
@ -429,6 +432,7 @@ void Neighbor::skip_from_respa(NeighList *list)
error->one(FLERR,"Neighbor list overflow, boost neigh_modify one");
if (respamiddle) {
ilist_middle[inum] = i;
firstneigh_middle[i] = neighptr_middle;
numneigh_middle[i] = n_middle;
ipage_middle->vgot(n);

1
src/neighbor.cpp
View File

@ -327,6 +327,7 @@ void Neighbor::init()
cut_inner_sq = (cut_respa[1] + skin) * (cut_respa[1] + skin);
cut_middle_sq = (cut_respa[3] + skin) * (cut_respa[3] + skin);
cut_middle_inside_sq = (cut_respa[0] - skin) * (cut_respa[0] - skin);
if (cut_respa[0]-skin < 0) cut_middle_inside_sq = 0.0;
}
// ------------------------------------------------------------------