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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7289 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2011-12-02 18:25:42 +00:00
parent 6bfa87dcb5
commit eca63a1b69
5 changed files with 129 additions and 42 deletions
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21
src/neighbor.cpp
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@ -856,16 +856,19 @@ void Neighbor::choose_build(int index, NeighRequest *rq)
if (style == NSQ) {
if (rq->ghost == 0) pb = &Neighbor::full_nsq;
else if (includegroup)
error->all(FLERR,"Neighbor include group not allowed with ghost neighbors");
error->all(FLERR,
"Neighbor include group not allowed with ghost neighbors");
else if (rq->ghost == 1) pb = &Neighbor::full_nsq_ghost;
} else if (style == BIN) {
if (rq->ghost == 0) pb = &Neighbor::full_bin;
else if (includegroup)
error->all(FLERR,"Neighbor include group not allowed with ghost neighbors");
error->all(FLERR,
"Neighbor include group not allowed with ghost neighbors");
else if (rq->ghost == 1) pb = &Neighbor::full_bin_ghost;
} else if (style == MULTI) {
if (rq->ghost == 0) pb = &Neighbor::full_multi;
else error->all(FLERR,"Neighbor multi not yet enabled for ghost neighbors");
else error->all(FLERR,
"Neighbor multi not yet enabled for ghost neighbors");
}
} else if (rq->gran) {
@ -938,16 +941,19 @@ void Neighbor::choose_build(int index, NeighRequest *rq)
if (style == NSQ) {
if (rq->ghost == 0) pb = &Neighbor::full_nsq_omp;
else if (includegroup)
error->all(FLERR,"Neighbor include group not allowed with ghost neighbors");
error->all(FLERR,
"Neighbor include group not allowed with ghost neighbors");
else if (rq->ghost == 1) pb = &Neighbor::full_nsq_ghost_omp;
} else if (style == BIN) {
if (rq->ghost == 0) pb = &Neighbor::full_bin_omp;
else if (includegroup)
error->all(FLERR,"Neighbor include group not allowed with ghost neighbors");
error->all(FLERR,
"Neighbor include group not allowed with ghost neighbors");
else if (rq->ghost == 1) pb = &Neighbor::full_bin_ghost_omp;
} else if (style == MULTI) {
if (rq->ghost == 0) pb = &Neighbor::full_multi_omp;
else error->all(FLERR,"Neighbor multi not yet enabled for ghost neighbors");
else error->all(FLERR,
"Neighbor multi not yet enabled for ghost neighbors");
}
} else if (rq->gran) {
@ -977,7 +983,8 @@ void Neighbor::choose_build(int index, NeighRequest *rq)
// general error check
if (rq->ghost && !rq->full)
error->all(FLERR,"Neighbors of ghost atoms only allowed for full neighbor lists");
error->all(FLERR,
"Neighbors of ghost atoms only allowed for full neighbor lists");
pair_build[index] = pb;
}