Searched refs:densityMatrix_full_beta (Results 1 – 1 of 1) sorted by relevance
1418 std::vector<ergo_real> densityMatrix_full_beta (n*n); in get_2e_matrices_and_energy_simple_sparse_unrestricted() local1422 densityMatrix_sparse_beta .fullMatrix(densityMatrix_full_beta, in get_2e_matrices_and_energy_simple_sparse_unrestricted()1431 &densityMatrix_full_alpha[0], &densityMatrix_full_beta[0], in get_2e_matrices_and_energy_simple_sparse_unrestricted()1437 densityMatrix_full_beta.reserve(0); in get_2e_matrices_and_energy_simple_sparse_unrestricted()1798 std::vector<ergo_real> densityMatrix_full_beta(n*n); in get_2e_matrices_and_energy_sparse_unrestricted() local1808 std::copy (fullTmp.begin(), fullTmp.end(), densityMatrix_full_beta.begin()); in get_2e_matrices_and_energy_sparse_unrestricted()1836 D_list[1] = &densityMatrix_full_beta[0]; in get_2e_matrices_and_energy_sparse_unrestricted()1880 *energy_2el += 0.5 * get_trace(n, &densityMatrix_full_beta[0], in get_2e_matrices_and_energy_sparse_unrestricted()1898 &densityMatrix_full_alpha[0], &densityMatrix_full_beta[0], in get_2e_matrices_and_energy_sparse_unrestricted()