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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1502 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2008-02-14 23:05:04 +00:00
parent c751561455
commit f89945e8e5
15 changed files with 166 additions and 100 deletions
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12
src/neigh_half_bin.cpp
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@ -57,6 +57,7 @@ void Neighbor::half_bin_no_newton(NeighList *list)
int npnt = 0;
for (i = 0; i < nlocal; i++) {
if (include_group && !(mask[i] & include_groupbit)) continue;
if (pgsize - npnt < oneatom) {
npnt = 0;
@ -100,10 +101,9 @@ void Neighbor::half_bin_no_newton(NeighList *list)
}
}
ilist[inum] = i;
ilist[inum++] = i;
firstneigh[i] = neighptr;
numneigh[i] = n;
inum++;
npnt += n;
if (npnt >= pgsize)
error->one("Neighbor list overflow, boost neigh_modify one or page");
@ -150,6 +150,7 @@ void Neighbor::half_bin_newton(NeighList *list)
int npnt = 0;
for (i = 0; i < nlocal; i++) {
if (include_group && !(mask[i] & include_groupbit)) continue;
if (pgsize - npnt < oneatom) {
npnt = 0;
@ -214,10 +215,9 @@ void Neighbor::half_bin_newton(NeighList *list)
}
}
ilist[inum] = i;
ilist[inum++] = i;
firstneigh[i] = neighptr;
numneigh[i] = n;
inum++;
npnt += n;
if (npnt >= pgsize)
error->one("Neighbor list overflow, boost neigh_modify one or page");
@ -264,6 +264,7 @@ void Neighbor::half_bin_newton_tri(NeighList *list)
int npnt = 0;
for (i = 0; i < nlocal; i++) {
if (include_group && !(mask[i] & include_groupbit)) continue;
if (pgsize - npnt < oneatom) {
npnt = 0;
@ -308,10 +309,9 @@ void Neighbor::half_bin_newton_tri(NeighList *list)
}
}
ilist[inum] = i;
ilist[inum++] = i;
firstneigh[i] = neighptr;
numneigh[i] = n;
inum++;
npnt += n;
if (npnt >= pgsize)
error->one("Neighbor list overflow, boost neigh_modify one or page");