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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2188 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2008-10-22 15:51:31 +00:00
parent 0859793443
commit 18fa9f45a5
8 changed files with 43 additions and 44 deletions
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18
src/neigh_gran.cpp
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@ -52,9 +52,9 @@ void Neighbor::granular_nsq_no_newton(NeighList *list)
int *molecule = atom->molecule;
int nlocal = atom->nlocal;
int nall = nlocal + atom->nghost;
if (include_group) {
if (includegroup) {
nlocal = atom->nfirst;
bitmask = group->bitmask[include_group];
bitmask = group->bitmask[includegroup];
}
int *ilist = list->ilist;
@ -108,7 +108,7 @@ void Neighbor::granular_nsq_no_newton(NeighList *list)
// loop over remaining atoms, owned and ghost
for (j = i+1; j < nall; j++) {
if (include_group && !(mask[j] & bitmask)) continue;
if (includegroup && !(mask[j] & bitmask)) continue;
if (exclude && exclusion(i,j,type[i],type[j],mask,molecule)) continue;
delx = xtmp - x[j][0];
@ -187,9 +187,9 @@ void Neighbor::granular_nsq_newton(NeighList *list)
int *molecule = atom->molecule;
int nlocal = atom->nlocal;
int nall = nlocal + atom->nghost;
if (include_group) {
if (includegroup) {
nlocal = atom->nfirst;
bitmask = group->bitmask[include_group];
bitmask = group->bitmask[includegroup];
}
int *ilist = list->ilist;
@ -221,7 +221,7 @@ void Neighbor::granular_nsq_newton(NeighList *list)
// loop over remaining atoms, owned and ghost
for (j = i+1; j < nall; j++) {
if (include_group && !(mask[j] & bitmask)) continue;
if (includegroup && !(mask[j] & bitmask)) continue;
if (j >= nlocal) {
jtag = tag[j];
@ -298,7 +298,7 @@ void Neighbor::granular_bin_no_newton(NeighList *list)
int *mask = atom->mask;
int *molecule = atom->molecule;
int nlocal = atom->nlocal;
if (include_group) nlocal = atom->nfirst;
if (includegroup) nlocal = atom->nfirst;
int *ilist = list->ilist;
int *numneigh = list->numneigh;
@ -441,7 +441,7 @@ void Neighbor::granular_bin_newton(NeighList *list)
int *mask = atom->mask;
int *molecule = atom->molecule;
int nlocal = atom->nlocal;
if (include_group) nlocal = atom->nfirst;
if (includegroup) nlocal = atom->nfirst;
int *ilist = list->ilist;
int *numneigh = list->numneigh;
@ -548,7 +548,7 @@ void Neighbor::granular_bin_newton_tri(NeighList *list)
int *mask = atom->mask;
int *molecule = atom->molecule;
int nlocal = atom->nlocal;
if (include_group) nlocal = atom->nfirst;
if (includegroup) nlocal = atom->nfirst;
int *ilist = list->ilist;
int *numneigh = list->numneigh;