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Prevent neigh list from copying "unique" stencil/bin

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This commit is contained in:
Stan Gerald Moore
2021-09-28 15:33:44 -06:00
parent ee0d439bbd
commit 8a35ea05bc
1 changed files with 16 additions and 10 deletions
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26
src/neighbor.cpp
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@ -915,11 +915,14 @@ int Neighbor::init_pair()
requests[i]->index_bin = -1;
flag = lists[i]->bin_method;
if (flag == 0) continue;
for (j = 0; j < nbin; j++)
if (neigh_bin[j]->istyle == flag) break;
if (j < nbin && !requests[i]->unique) {
requests[i]->index_bin = j;
continue;
if (!requests[i]->unique) {
for (j = 0; j < nbin; j++)
if (neigh_bin[j]->istyle == flag &&
neigh_bin[j]->cutoff_custom == 0.0) break;
if (j < nbin) {
requests[i]->index_bin = j;
continue;
}
}
BinCreator &bin_creator = binclass[flag-1];
@ -936,11 +939,14 @@ int Neighbor::init_pair()
requests[i]->index_stencil = -1;
flag = lists[i]->stencil_method;
if (flag == 0) continue;
for (j = 0; j < nstencil; j++)
if (neigh_stencil[j]->istyle == flag) break;
if (j < nstencil && !requests[i]->unique) {
requests[i]->index_stencil = j;
continue;
if (!requests[i]->unique) {
for (j = 0; j < nstencil; j++)
if (neigh_stencil[j]->istyle == flag &&
neigh_stencil[j]->cutoff_custom == 0.0) break;
if (j < nstencil) {
requests[i]->index_stencil = j;
continue;
}
}
StencilCreator &stencil_creator = stencilclass[flag-1];