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GQCP::constructMolecularHamiltonianParameters(ao_basis);\n+\n+    size_t K = ao_basis->get_number_of_basis_functions();\n+\n+    // We include all basis functions\n+    GQCP::Vectoru gto_list (K);\n+    for(size_t i = 0; i<K; i++){\n+        gto_list[i] = i;\n+    }\n+\n+    GQCP::OneElectronOperator mulliken = ham_par.calculateMullikenOperator(gto_list);\n+\n+    size_t N = N2.get_N();\n+\n+    // Create a 1-RDM for N2\n+    Eigen::MatrixXd D = Eigen::MatrixXd::Zero(K, K);\n+    GQCP::OneRDM one_rdm = GQCP::calculateRHF1RDM(K, N);\n+\n+    double mulliken_population = GQCP::calculateExpectationValue(mulliken, one_rdm);\n+    BOOST_CHECK(std::abs(mulliken_population - (N)) < 1.0e-08);\n+\n+    // Repeat this for the RDM of a DOCI 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