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fixed bug in neigh_common with missing self-inclusion of ghost bond atoms

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phankl
2022-08-18 15:43:28 +02:00
parent d8cb79da36
commit e37abc65fe
1 changed files with 2 additions and 0 deletions
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2
src/MESONT/pair_mesocnt.cpp
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@ -1257,6 +1257,7 @@ void PairMesoCNT::neigh_common(int i1, int i2, int &numred, int *redlist)
else if (i1 > nlocal - 1) {
numneigh2 = numneigh[i2];
neighlist2 = firstneigh[i2];
redlist[numred++] = i2;
for (int j = 0; j < numneigh2; j++)
redlist[numred++] = neighlist2[j] & NEIGHMASK;
return;
@ -1264,6 +1265,7 @@ void PairMesoCNT::neigh_common(int i1, int i2, int &numred, int *redlist)
else if (i2 > nlocal - 1) {
numneigh1 = numneigh[i1];
neighlist1 = firstneigh[i1];
redlist[numred++] = i1;
for (int j = 0; j < numneigh1; j++)
redlist[numred++] = neighlist1[j] & NEIGHMASK;
return;