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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2575 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2009-02-12 20:14:33 +00:00
parent 22b7dc3ea1
commit ae442e9cc8
1 changed files with 99 additions and 28 deletions
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127
src/neighbor.cpp
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@ -750,7 +750,8 @@ int Neighbor::request(void *requestor)
skip -> granular function if gran with granhistory
respa function if respaouter
skip_from function for everything else
half_from_full, half, full, gran, respaouter -> choose by newton and tri
half_from_full, half, full, gran, respaouter ->
choose by newton and rq->newton and tri settings
style NSQ options = newton off, newton on
style BIN options = newton off, newton on and not tri, newton on and tri
stlye MULTI options = same options as BIN
@ -776,16 +777,38 @@ void Neighbor::choose_build(int index, NeighRequest *rq)
} else if (rq->half) {
if (style == NSQ) {
if (newton_pair == 0) pb = &Neighbor::half_nsq_no_newton;
else if (newton_pair == 1) pb = &Neighbor::half_nsq_newton;
if (rq->newton == 0) {
if (newton_pair == 0)
pb = &Neighbor::half_nsq_no_newton;
else if (newton_pair == 1)
pb = &Neighbor::half_nsq_newton;
} else if (rq->newton == 1) {
pb = &Neighbor::half_nsq_newton;
} else if (rq->newton == 2) {
pb = &Neighbor::half_nsq_no_newton;
}
} else if (style == BIN) {
if (newton_pair == 0) pb = &Neighbor::half_bin_no_newton;
else if (triclinic == 0) pb = &Neighbor::half_bin_newton;
else if (triclinic == 1) pb = &Neighbor::half_bin_newton_tri;
if (rq->newton == 0) {
if (newton_pair == 0) pb = &Neighbor::half_bin_no_newton;
else if (triclinic == 0) pb = &Neighbor::half_bin_newton;
else if (triclinic == 1) pb = &Neighbor::half_bin_newton_tri;
} else if (rq->newton == 1) {
if (triclinic == 0) pb = &Neighbor::half_bin_newton;
else if (triclinic == 1) pb = &Neighbor::half_bin_newton_tri;
} else if (rq->newton == 2) {
pb = &Neighbor::half_bin_no_newton;
}
} else if (style == MULTI) {
if (newton_pair == 0) pb = &Neighbor::half_multi_no_newton;
else if (triclinic == 0) pb = &Neighbor::half_multi_newton;
else if (triclinic == 1) pb = &Neighbor::half_multi_newton_tri;
if (rq->newton == 0) {
if (newton_pair == 0) pb = &Neighbor::half_multi_no_newton;
else if (triclinic == 0) pb = &Neighbor::half_multi_newton;
else if (triclinic == 1) pb = &Neighbor::half_multi_newton_tri;
} else if (rq->newton == 1) {
if (triclinic == 0) pb = &Neighbor::half_multi_newton;
else if (triclinic == 1) pb = &Neighbor::half_multi_newton_tri;
} else if (rq->newton == 2) {
pb = &Neighbor::half_multi_no_newton;
}
}
} else if (rq->full) {
@ -836,29 +859,77 @@ void Neighbor::choose_stencil(int index, NeighRequest *rq)
else if (rq->half || rq->gran || rq->respaouter) {
if (style == BIN) {
if (newton_pair == 0) {
if (dimension == 2) sc = &Neighbor::stencil_half_bin_2d_no_newton;
else if (dimension == 3) sc = &Neighbor::stencil_half_bin_3d_no_newton;
} else if (triclinic == 0) {
if (dimension == 2) sc = &Neighbor::stencil_half_bin_2d_newton;
else if (dimension == 3) sc = &Neighbor::stencil_half_bin_3d_newton;
} else if (triclinic == 1) {
if (dimension == 2) sc = &Neighbor::stencil_half_bin_2d_newton_tri;
else if (dimension == 3)
sc = &Neighbor::stencil_half_bin_3d_newton_tri;
if (rq->newton == 0) {
if (newton_pair == 0) {
if (dimension == 2)
sc = &Neighbor::stencil_half_bin_2d_no_newton;
else if (dimension == 3)
sc = &Neighbor::stencil_half_bin_3d_no_newton;
} else if (triclinic == 0) {
if (dimension == 2)
sc = &Neighbor::stencil_half_bin_2d_newton;
else if (dimension == 3)
sc = &Neighbor::stencil_half_bin_3d_newton;
} else if (triclinic == 1) {
if (dimension == 2)
sc = &Neighbor::stencil_half_bin_2d_newton_tri;
else if (dimension == 3)
sc = &Neighbor::stencil_half_bin_3d_newton_tri;
}
} else if (rq->newton == 1) {
if (triclinic == 0) {
if (dimension == 2)
sc = &Neighbor::stencil_half_bin_2d_newton;
else if (dimension == 3)
sc = &Neighbor::stencil_half_bin_3d_newton;
} else if (triclinic == 1) {
if (dimension == 2)
sc = &Neighbor::stencil_half_bin_2d_newton_tri;
else if (dimension == 3)
sc = &Neighbor::stencil_half_bin_3d_newton_tri;
}
} else if (rq->newton == 2) {
if (dimension == 2)
sc = &Neighbor::stencil_half_bin_2d_no_newton;
else if (dimension == 3)
sc = &Neighbor::stencil_half_bin_3d_no_newton;
}
} else if (style == MULTI) {
if (newton_pair == 0) {
if (dimension == 2) sc = &Neighbor::stencil_half_multi_2d_no_newton;
if (rq->newton == 0) {
if (newton_pair == 0) {
if (dimension == 2)
sc = &Neighbor::stencil_half_multi_2d_no_newton;
else if (dimension == 3)
sc = &Neighbor::stencil_half_multi_3d_no_newton;
} else if (triclinic == 0) {
if (dimension == 2)
sc = &Neighbor::stencil_half_multi_2d_newton;
else if (dimension == 3)
sc = &Neighbor::stencil_half_multi_3d_newton;
} else if (triclinic == 1) {
if (dimension == 2)
sc = &Neighbor::stencil_half_multi_2d_newton_tri;
else if (dimension == 3)
sc = &Neighbor::stencil_half_multi_3d_newton_tri;
}
} else if (rq->newton == 1) {
if (triclinic == 0) {
if (dimension == 2)
sc = &Neighbor::stencil_half_multi_2d_newton;
else if (dimension == 3)
sc = &Neighbor::stencil_half_multi_3d_newton;
} else if (triclinic == 1) {
if (dimension == 2)
sc = &Neighbor::stencil_half_multi_2d_newton_tri;
else if (dimension == 3)
sc = &Neighbor::stencil_half_multi_3d_newton_tri;
}
} else if (rq->newton == 2) {
if (dimension == 2)
sc = &Neighbor::stencil_half_multi_2d_no_newton;
else if (dimension == 3)
sc = &Neighbor::stencil_half_multi_3d_no_newton;
} else if (triclinic == 0) {
if (dimension == 2) sc = &Neighbor::stencil_half_multi_2d_newton;
else if (dimension == 3) sc = &Neighbor::stencil_half_multi_3d_newton;
} else if (triclinic == 1) {
if (dimension == 2) sc = &Neighbor::stencil_half_multi_2d_newton_tri;
else if (dimension == 3)
sc = &Neighbor::stencil_half_multi_3d_newton_tri;
}
}