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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1515 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2008-02-15 19:06:53 +00:00
parent 9fa38a6e94
commit 9864ead231
27 changed files with 243 additions and 110 deletions
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12
src/neigh_half_bin.cpp
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@ -42,7 +42,8 @@ void Neighbor::half_bin_no_newton(NeighList *list)
int *mask = atom->mask;
int *molecule = atom->molecule;
int nlocal = atom->nlocal;
int nall = atom->nlocal + atom->nghost;
int nall = nlocal + atom->nghost;
if (include_group) nlocal = atom->nfirst;
int molecular = atom->molecular;
int *ilist = list->ilist;
@ -57,7 +58,6 @@ 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;
@ -135,8 +135,9 @@ void Neighbor::half_bin_newton(NeighList *list)
int *mask = atom->mask;
int *molecule = atom->molecule;
int nlocal = atom->nlocal;
int nall = atom->nlocal + atom->nghost;
int nall = nlocal + atom->nghost;
int molecular = atom->molecular;
if (include_group) nlocal = atom->nfirst;
int *ilist = list->ilist;
int *numneigh = list->numneigh;
@ -150,7 +151,6 @@ 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;
@ -249,8 +249,9 @@ void Neighbor::half_bin_newton_tri(NeighList *list)
int *mask = atom->mask;
int *molecule = atom->molecule;
int nlocal = atom->nlocal;
int nall = atom->nlocal + atom->nghost;
int nall = nlocal + atom->nghost;
int molecular = atom->molecular;
if (include_group) nlocal = atom->nfirst;
int *ilist = list->ilist;
int *numneigh = list->numneigh;
@ -264,7 +265,6 @@ 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;