- g -
- gemm_sse() : gemm_sse.h
- generate_multipoles_for_groups() : organize_distrs_mm.cc, organize_distrs_mm.h
- generate_unique_random_filename() : utilities.cc, utilities.h
- get_1d_hermite_poly_inv_symb() : hermite_conversion_symb.cc
- get_1d_hermite_poly_symb() : hermite_conversion_symb.cc
- get_1e_density_matrix() : ci.cc
- get_1el_contribs() : ci.cc
- get_1el_contribs_to_mult_or_dmat() : ci.cc
- get_1el_energy_and_gradient() : ci.cc
- get_2e_density_matrix() : ci.cc
- get_2e_matrices_and_energy_restricted_open() : scf_utils.cc, scf_utils.h
- get_2e_matrices_and_energy_simple_HF_sparse_unrestricted() : scf_utils.cc
- get_2e_matrices_and_energy_simple_sparse_unrestricted() : scf_utils.cc
- get_2e_matrices_and_energy_sparse_unrestricted() : scf_utils.cc, scf_utils.h
- get_2e_matrix_and_energy_simple_HF_sparse() : scf_utils.cc
- get_2e_matrix_and_energy_simple_sparse() : scf_utils.cc
- get_2e_matrix_and_energy_sparse() : scf_utils.cc, scf_utils.h
- get_2el_contribs() : ci.cc
- get_2el_contribs_to_mult_or_dmat() : ci.cc
- get_2el_energy_and_gradient() : ci.cc
- get_all_eigenvalues_of_matrix() : random_matrices.cc, random_matrices.h
- get_all_generalized_eigenvalues() : naive_response_test.cc
- get_all_matrix_elements_nosymm() : simple_ort_puri_test.cc
- get_all_matrix_elements_symm() : simple_ort_puri_test.cc
- get_all_nonzeros() : matrix_utilities.h
- get_atom_label_from_charge_int() : atom_labels.cc, atom_labels.h
- get_basis_func_extent_list() : integrals_general.cc, integrals_general.h
- get_basis_func_pair_list_1el_for_V() : basis_func_pair_list_1el.h, basis_func_pair_list_1el.cc
- get_basis_func_pair_list_2el() : basis_func_pair_list.cc, basis_func_pair_list.h
- get_basis_func_pair_list_simple() : basis_func_pair_list_1el.cc, basis_func_pair_list_1el.h
- get_basis_funcs() : basisinfo.h
- get_basisFuncGroupInfoList_maxsize() : integrals_2el_K.cc
- get_bf_vals() : aos.cc
- get_bf_vals_derivs() : aos.cc
- get_branch_splitter_info() : integrals_2el_J.cc
- get_charge_int_from_atom_label() : atom_labels.cc, atom_labels.h
- get_CI_energy() : ci.cc
- get_CI_energy_and_gradient() : ci.cc
- get_CI_matrix() : ci.cc
- get_combinations() : ci.cc
- get_conversion_matrix_for_group() : organize_distrs.cc
- get_CSR_from_normalMatrix() : integral_matrix_wrappers.cc
- get_CSR_from_symmMatrix() : integral_matrix_wrappers.cc
- get_curr_electric_field() : tdhf_dynamics.cc
- get_dens_from_cmo_FermiDiracDistr() : densfromf_full.cc
- get_dens_from_cmo_zeroT() : densfromf_full.cc
- get_dens_from_fock_full() : densfromf_full.cc, densfromf_full.h
- get_density() : densitymanager.h, densitymanager.cc, grid_hicu.cc
- get_density_mat_by_diagonalization() : simple_ort_puri_test.cc
- get_density_mat_by_purification() : simple_ort_puri_test.cc
- get_diag_dens_mat() : many_h_atoms_test.cc
- get_diag_matrix_from_file() : scf_utils.cc, scf_utils.h
- get_dipole_moment() : dipole_moment.cc, dipole_moment.h
- get_dipole_moment_fullmat() : dipole_moment.h, dipole_moment.cc
- get_distance_3d() : integrals_1el_potential.cc
- get_distance_between_atoms() : molecule.cc
- get_distribution_box() : grid_hicu.cc
- get_eigs() : ci.cc
- get_electron_nuclear_attraction_energy() : integral_matrix_wrappers.cc, integral_matrix_wrappers.h
- get_energy() : many_h_atoms_test.cc
- get_eucl_diff_with_adapted_accuracy() : GetDensFromFock.cc, SCF_restricted.cc
- get_eucl_norm_try_different_acc() : SCF_general.cc
- get_euclidean_norm() : matrix_norm.cc, matrix_norm.h
- get_exp_value_pos_operator() : scf_utils.cc, scf_utils.h
- get_F_orbs() : densfromf_full.cc, densfromf_full.h
- get_FCI_Slater_dets_all() : ci.cc
- get_FCI_Slater_dets_alpha_beta() : ci.cc
- get_file_size() : utilities.cc, utilities.h
- get_Fock_matrix_in_ort_basis() : tdhf_dynamics.cc
- get_gradient_for_given_mol_and_dens() : scf_utils.cc, scf_utils.h
- get_gradient_using_explicit_integrals() : gradient_test.cc
- get_gradient_using_finite_differences() : gradient_test.cc
- get_hermite_conversion_matrix() : hermite_conversion_explicit.cc, hermite_conversion_explicit.h
- get_hermite_conversion_matrix_symb() : hermite_conversion_symb.cc, hermite_conversion_symb.h
- get_hf_weight() : functionals.c
- get_hf_weight_and_cam_params() : scf_utils.cc, scf_utils.h
- get_HML_dens_matrix() : naive_response_test.cc
- get_HML_G_matrix() : naive_response_test.cc, many_h_atoms_test.cc
- get_HML_J() : many_h_atoms_test.cc, naive_response_test.cc
- get_HML_K() : many_h_atoms_test.cc, naive_response_test.cc
- get_host_name() : utilities.cc, utilities.h
- get_Huckel_matrix_periodic() : simple_ort_puri_test.cc
- get_identical_rand_numbers() : csr_matrix_test.cc
- get_J_contribs_from_2_interacting_boxes() : integrals_2el_J_kernel.h, integrals_2el_J_kernel.cc
- get_JK_contribs_from_2_interacting_boxes() : integrals_2el_boxed.cc
- get_joblists_J_for_two_boxes_recursive() : integrals_2el_J.cc
- get_K_contribs_from_2_interacting_boxes() : integrals_2el_K_kernel.cc, integrals_2el_K_kernel.h
- get_l_m_from_index() : multipole_prep.cc
- get_largest_and_smallest_extent_for_list_of_distributions() : integrals_2el_J.cc
- get_largest_eigenvalue() : matrix_norm.cc
- get_largest_simple_integral() : integrals_general.cc, integrals_general.h
- get_list_of_distrs_for_V() : integrals_1el_potential.cc
- get_list_of_labeled_distrs() : integrals_2el_utils.cc, integrals_2el_utils.h
- get_list_of_labeled_distrs_linear() : integrals_2el_J.cc
- get_list_of_labeled_distrs_maxLimitingFactor() : integrals_2el_utils.cc, integrals_2el_utils.h
- get_list_of_labeled_distrs_maxLimitingFactor_linear() : integrals_2el_J.cc
- get_lm_factor_slow() : multipole_prep.cc
- get_Lowdin_orbitals() : ci.cc
- get_M() : basis_func_extent.cc
- get_machine_epsilon() : machine_epsilon.cc, machine_epsilon.h
- get_matrices_A_and_B() : naive_response_test.cc
- get_matrix_from_binary() : random_matrices.cc, random_matrices.h
- get_matrix_from_binary_vec() : random_matrices.cc, random_matrices.h
- get_matrix_from_full() : test.cc, mat_performance_test.cc, random_matrices.cc, random_matrices.h
- get_matrix_from_sparse() : random_matrices.h, random_matrices.cc
- get_matrix_from_sparse_vec() : random_matrices.cc, random_matrices.h
- get_max_abs_vector_element() : integrals_2el_utils.cc, integrals_2el_utils.h
- get_max_basis_func_abs_value() : integrals_general.cc, integrals_general.h
- get_max_charge() : integral_matrix_wrappers.cc
- get_maxabsdiff() : lapack_test.cc
- get_maxLimitingFactor() : basis_func_pair_list.cc
- get_memory_usage_by_procfile() : utilities.cc, utilities.h
- get_memory_usage_by_ps() : utilities.cc, utilities.h
- get_min_distance_from_point_to_box() : box_system.h, box_system.cc
- get_mulliken_charges() : scf_utils.cc
- get_multipole_contribs_for_atom() : integrals_1el_potential.cc
- get_multipole_pt_for_box() : organize_distrs_mm.cc, organize_distrs_mm.h
- get_nnz_percentage() : simple_ort_puri_test.cc
- get_no_of_basis_func_polys_used_from_no_of_shell_types() : integral_info.h
- get_no_of_primitives_for_density() : densitymanager.h, densitymanager.cc
- get_nucl_energy_for_given_mol_and_dens() : SCF_restricted.cc, gradient_test.cc
- get_nucl_repulsion_energy_using_multipoles() : integrals_1el_potential.cc
- get_poly_info_from_shell_type() : integral_info.h
- get_product_distrs() : grid_hicu.cc
- get_product_simple_primitives() : integrals_general.cc, integrals_general.h
- get_product_simple_prims() : integrals_general.cc, integrals_general.h
- get_random_matrix_full() : mat_performance_test.cc
- get_random_positive_definite_matrix() : mat_thread_test.cc
- get_random_sparse_blocks_matrix() : random_matrices.cc, random_matrices.h
- get_random_symm_matrix() : random_matrices.cc, random_matrices.h
- get_real_solid_harmonic_poly() : integral_info.cc
- get_related_integrals_h() : integrals_2el_utils.cc, integrals_2el_utils.h
- get_related_integrals_hermite() : integrals_hermite.cc, integrals_hermite.h
- get_relevant_SlaterDet_pairs() : ci.cc
- get_relevant_SlaterDet_pairs_recursive() : ci.cc
- get_relevant_SlaterDet_pairs_recursive_2() : ci.cc
- get_relevant_SlaterDet_pairs_recursive_do_mult_or_dmat() : ci.cc
- get_rhotree_indexes_for_box() : grid_hicu.cc
- get_shell_box() : grid_hicu.cc
- get_shell_list_with_extents() : grid_hicu.cc
- get_shell_type_from_basis_func_poly_id() : integral_info.h
- get_simple_primitives() : basisinfo.cc
- get_simple_primitives_all() : basisinfo.h
- get_simple_starting_guess_sparse() : scf_utils.cc, scf_utils.h
- get_SlaterDet_energy() : ci.cc
- get_trace() : scf_utils.cc
- get_vector_norm() : ci.cc
- get_wall_seconds() : bench_gemm_only.cc, blastime.cc
- get_working_directory() : utilities.cc, utilities.h
- getBinCoeff() : integral_info.cc
- getBoundingBox() : dft_common.h
- getDmatLimitMatrixCSRList() : integrals_2el_K.cc
- getexp_blocked_gga() : rho-mat.h, rho-mat.cc
- getexp_blocked_lda() : rho-mat.h, rho-mat.cc
- getMatrixPermutation() : matrix_utilities.cc, matrix_utilities.h
- getMatrixPermutationOnlyFactor2() : matrix_utilities.cc, matrix_utilities.h
- getNumberFromBuffer() : utilities.cc
- getOperatorParams() : ergo_scripted.cc
- getPermutation() : matrix_utilities.cc
- getrho_blocked_gga() : sparse_matrix.h, sparse_matrix.cc, rho-mat.h, rho-mat.cc, rho-mat.h
- getrho_blocked_lda() : rho-mat.cc, rho-mat.h, sparse_matrix.cc, sparse_matrix.h
- getSafeMaxDistance() : basisinfo.h, basisinfo.cc
- getSubBox() : grid_hicu.cc
- getUXC_mt() : xc_matrix_sparse.h
- getUXC_seq() : xc_matrix_sparse.cc, xc_matrix_sparse.h
- getXC_mt() : xc_matrix_sparse.cc, xc_matrix_sparse.h
- getXC_seq() : xc_matrix_sparse.cc, xc_matrix_sparse.h
- gga_energy() : fun-gga.c
- gga_first() : fun-gga.c
- gga_fourth() : fun-gga.c
- gga_isgga() : fun-gga.c
- gga_report() : fun-gga.c
- gga_second() : fun-gga.c
- gga_third() : fun-gga.c
- grid_atexit() : grid_reader.cc
- grid_close() : grid_reader.cc, grid_reader.h
- grid_free_files() : grid_reader.cc, grid_reader.h
- grid_generate_sparse_pattern() : grid_hicu.cc, grid_hicu.h
- grid_get_fname() : grid_reader.cc
- grid_getchunk_blocked() : grid_reader.cc, grid_reader.h
- grid_is_ready() : grid_reader.h, grid_reader.cc
- grid_open_cartesian() : grid_reader.cc
- grid_open_full() : grid_reader.cc, grid_reader.h
- grid_open_stream() : grid_reader.cc
- grid_set_tmpdir() : dft.h, grid_reader.cc, grid_reader.h
- grid_stream_free() : grid_stream.h, grid_stream.cc
- grid_stream_generate() : grid_stream.cc, grid_stream.h
- grid_stream_new() : grid_stream.cc, grid_stream.h
- grid_stream_set_sparse_pattern() : grid_stream.cc, grid_stream.h
- grid_test_scaling() : grid_test.cc
- grid_test_synchronisation() : grid_test.cc