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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12310 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2014-08-14 16:30:03 +00:00
parent 405a2fd487
commit 0f6eb0877e
59 changed files with 9668 additions and 304 deletions
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32
src/neighbor.cpp
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@ -920,7 +920,7 @@ void Neighbor::choose_build(int index, NeighRequest *rq)
{
PairPtr pb = NULL;
if (rq->omp == 0) {
if (rq->omp == 0 && rq->intel == 0) {
if (rq->copy) pb = &Neighbor::copy_from;
@ -1076,21 +1076,33 @@ void Neighbor::choose_build(int index, NeighRequest *rq)
} else if (style == BIN) {
if (rq->newton == 0) {
if (newton_pair == 0) {
if (rq->ghost == 0) pb = &Neighbor::half_bin_no_newton_omp;
else if (includegroup)
if (rq->ghost == 0) {
if (rq->intel) pb = &Neighbor::half_bin_no_newton_intel;
else pb = &Neighbor::half_bin_no_newton_omp;
} else if (includegroup)
error->all(FLERR,"Neighbor include group not allowed "
"with ghost neighbors");
else pb = &Neighbor::half_bin_no_newton_ghost_omp;
} else if (triclinic == 0) {
pb = &Neighbor::half_bin_newton_omp;
} else if (triclinic == 1)
pb = &Neighbor::half_bin_newton_tri_omp;
if (rq->intel) pb = &Neighbor::half_bin_newton_intel;
else pb = &Neighbor::half_bin_newton_omp;
} else if (triclinic == 1) {
if (rq->intel) pb = &Neighbor::half_bin_newton_tri_intel;
else pb = &Neighbor::half_bin_newton_tri_omp;
}
} else if (rq->newton == 1) {
if (triclinic == 0) pb = &Neighbor::half_bin_newton_omp;
else if (triclinic == 1) pb = &Neighbor::half_bin_newton_tri_omp;
if (triclinic == 0) {
if (rq->intel) pb = &Neighbor::half_bin_newton_intel;
else pb = &Neighbor::half_bin_newton_omp;
} else if (triclinic == 1) {
if (rq->intel) pb = &Neighbor::half_bin_newton_tri_intel;
else pb = &Neighbor::half_bin_newton_tri_omp;
}
} else if (rq->newton == 2) {
if (rq->ghost == 0) pb = &Neighbor::half_bin_no_newton_omp;
else if (includegroup)
if (rq->ghost == 0) {
if (rq->intel) pb = &Neighbor::half_bin_no_newton_intel;
else pb = &Neighbor::half_bin_no_newton_omp;
} else if (includegroup)
error->all(FLERR,"Neighbor include group not allowed "
"with ghost neighbors");
else pb = &Neighbor::half_bin_no_newton_ghost_omp;