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20240221 fix a bug of subtraction
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renan991995 committed Feb 21, 2024
1 parent 9be8ce9 commit 6928e48
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion src/MOLECULE.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -4361,7 +4361,7 @@ unsigned int MOLECULE::subtraction(unsigned int n,unsigned int bndfrm,bool cistr
for (int k1=0;k1<(int)Cyindex.at(k).size();k1++) {
if (Cyindex.at(k).at(k1)==Cyindex.at(n).at(g)) {
Cyindex.at(k).erase(Cyindex.at(k).begin()+k1);
k--;
//k--;
k1--;
}
}
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