Searched refs:densityMatrix_full_alpha (Results 1 – 1 of 1) sorted by relevance
1417 std::vector<ergo_real> densityMatrix_full_alpha(n*n); in get_2e_matrices_and_energy_simple_sparse_unrestricted() local1419 densityMatrix_sparse_alpha.fullMatrix(densityMatrix_full_alpha, 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()1436 densityMatrix_full_alpha.reserve(0); in get_2e_matrices_and_energy_simple_sparse_unrestricted()1797 std::vector<ergo_real> densityMatrix_full_alpha(n*n); in get_2e_matrices_and_energy_sparse_unrestricted() local1804 std::copy (fullTmp.begin(), fullTmp.end(), densityMatrix_full_alpha.begin()); in get_2e_matrices_and_energy_sparse_unrestricted()1835 D_list[0] = &densityMatrix_full_alpha[0]; in get_2e_matrices_and_energy_sparse_unrestricted()1878 *energy_2el += 0.5 * get_trace(n, &densityMatrix_full_alpha[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()