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1 parent 5767ee3 commit 103663cCopy full SHA for 103663c
src/colvarcomp_coordnums.cpp
@@ -162,9 +162,7 @@ template<int flags> void colvar::coordnum::main_loop(bool **pairlist_elem)
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pairlist_elem,
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tolerance);
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}
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- if (b_group2_center_only) {
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- group2->set_weighted_gradient(group2_com_grad);
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- }
+ group2->set_weighted_gradient(group2_com_grad);
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} else {
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for (size_t i = 0; i < group1->size(); ++i) {
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for (size_t j = 0; j < group2->size(); ++j) {
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