fixed index error in s4b term for LRCC2

m-a-d-n-e-s-s · Dec 10, 2024 · 584e26f · 584e26f
1 parent 21fb625
commit 584e26f
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/src/madness/chem/CCPotentials.cc b/src/madness/chem/CCPotentials.cc
@@ -3370,7 +3370,7 @@ CCPotentials::s4b(World& world, const std::vector<int> external_index, const CC_
                 // const std::vector<CCPairFunction<double,6>> ukl = get_pair_function(doubles, k, l);
             // make a ful pair function using the pure 6D part uik and complete with the rest
             std::vector<CCPairFunction<double,6>> ukl1 = get_pair_function(doubles, k, l);
-            CCPair pair_kl=builder.complete_pair_with_low_rank_parts(builder.make_pair(i,l,ukl1));
+            CCPair pair_kl=builder.complete_pair_with_low_rank_parts(builder.make_pair(k,l,ukl1));
             std::vector<CCPairFunction<double,6>> ukl = pair_kl.functions;
 
                 for (size_t mm = 0; mm < ukl.size(); mm++) {