- d -
- dal_malloc_() : dft_common.h, dft_common.cc
- daxpy_() : mat_gblas.h
- ddf_get_matrix_from_storage() : density_description_file.cc
- ddf_get_matrix_from_storage_sparse() : density_description_file.cc
- ddf_get_matrix_from_vector_storage() : density_description_file.cc
- ddf_get_matrix_from_vector_storage_sparse() : density_description_file.cc
- ddf_get_matrix_nvalues_from_storage() : density_description_file.cc
- ddf_get_matrix_storage_size() : density_description_file.cc
- ddf_get_matrix_storage_size_sparse() : density_description_file.cc
- ddf_get_nvalues_symm_matrix() : density_description_file.cc
- ddf_get_triangular_matrix_from_storage() : density_description_file.cc
- ddf_get_triangular_matrix_from_storage_sparse() : density_description_file.cc
- ddf_load_density() : density_description_file.cc, density_description_file.h
- ddf_load_density_getSizes() : density_description_file.cc
- ddf_load_density_sparse() : density_description_file.cc, density_description_file.h
- ddf_read_shells_and_density_matrices() : density_description_file.cc
- ddf_read_shells_and_density_matrices_sparse() : density_description_file.cc
- ddf_store_matrix() : density_description_file.cc
- ddf_store_matrix_as_vectors() : density_description_file.cc
- ddf_store_matrix_as_vectors_sparse() : density_description_file.cc
- ddf_store_matrix_sparse() : density_description_file.cc
- ddf_store_triangular_matrix() : density_description_file.cc
- ddf_store_triangular_matrix_sparse() : density_description_file.cc
- ddf_writeShellListAndDensityMatricesToFile() : density_description_file.h, density_description_file.cc
- ddf_writeShellListAndDensityMatricesToFile_sparse() : density_description_file.cc, density_description_file.h
- ddot_() : mat_gblas.h
- define_basis_func_poly() : basisinfo.cc
- define_basis_func_poly_special_6dfuncs() : basisinfo.cc
- determine_number_of_electrons_unrestricted() : scf_utils.cc, scf_utils.h
- dft_get_cam_param() : functionals.h
- dft_get_hf_weight() : dft_common.cc
- dft_get_num_threads() : dft_common.cc, dft_common.h
- dft_get_orbs() : aos.cc, aos.h
- dft_get_uxc() : dft.h, xc_matrix.cc
- dft_get_uxc_mt() : xc_matrix.cc, xc_matrix.h
- dft_get_uxc_worker() : xc_matrix.cc
- dft_get_xc() : dft.h, xc_matrix.cc
- dft_get_xc_mt() : xc_matrix.cc, xc_matrix.h
- dft_get_xc_worker() : xc_matrix.cc
- dft_init() : dft_common.cc, dft_common.h
- dft_integrate() : integrator.cc
- dft_integrator_bl_free() : integrator.cc, integrator.h
- dft_integrator_bl_new() : integrator.cc, integrator.h
- dft_isgga_() : functionals.h, functionals.c
- dft_isgga__() : functionals.c, functionals.h
- dft_lin_resp_mt() : lin_trans.cc, lin_trans.h
- dft_lin_resp_worker() : lin_trans.cc
- dft_lin_respao() : lin_trans.cc, lin_trans.h
- dft_set_hf_weight() : dft_common.cc
- dft_set_num_threads() : dft_common.h, dft_common.cc
- dft_setfunc() : dft.h, dft_common.cc, dft_common.h
- dftene_() : dft_common.cc
- dftlistfuncs_() : functionals.c, functionals.h
- dftlistfuncs_using_printf_() : functionals.c, functionals.h
- dftpot0_() : dft_common.h, dft_common.cc, dft.h
- dftpot1() : fun-tester.cc
- dftpot1_() : dft.h, dft_common.cc, dft_common.h
- dftptf0_() : dft_common.cc
- dftreport_() : functionals.c, functionals.h
- dgemm_() : mat_gblas.h
- dgemv_() : mat_gblas.h
- dggev_() : mat_gblas.h
- diserr() : grid_atomic.cc
- distance() : dft_common.cc
- dlanhs_() : template_lapack_lanhs.h
- dlaruv_() : template_lapack_laruv.h
- do_1e_repulsion_integral_derivatives_using_symb_info() : integrals_1el_single.h, integrals_1el_single.cc
- do_1e_repulsion_integral_list_using_symb_info() : integrals_1el_single.h
- do_1e_repulsion_integral_using_symb_info() : integrals_1el_single.cc, integrals_1el_single.h
- do_1e_repulsion_integral_using_symb_info_h() : integrals_1el_single.cc
- do_2e_integral() : integrals_2el_explicit.cc, integrals_2el_explicit.h
- do_2e_integral_general() : integrals_2el_explicit.cc, integrals_2el_explicit.h
- do_2e_integral_using_symb_info() : integrals_2el_single.cc, integrals_2el_single.h
- do_2e_integral_using_symb_info_h() : integrals_2el_single.cc
- do_acc_scan_J() : scf_utils.cc, scf_utils.h
- do_acc_scan_K() : scf_utils.cc, scf_utils.h
- do_acc_scan_Vxc() : scf_utils.cc, scf_utils.h
- do_add_atom() : many_h_atoms_test.cc
- do_CI() : ci.h, ci.cc
- do_density_images() : scf_utils.cc, scf_utils.h
- do_derivative_of_simple_prim() : integrals_1el_kinetic.cc
- do_energy_comparison() : many_h_atoms_test.cc
- do_HF_HML() : naive_response_test.cc
- do_interaction_recursive() : integrals_1el_potential.cc
- do_interaction_recursive_2() : integrals_1el_potential.cc
- do_merge_sort_distrs() : densitymanager.cc, grid_hicu.cc
- do_mulliken_atomic_charges() : scf_utils.cc, scf_utils.h
- do_mulliken_spin_densities() : scf_utils.cc, scf_utils.h
- do_multipole_interaction_between_2_boxes_branches() : integrals_2el_J_mm_kernel.cc, integrals_2el_J_mm_kernel.h
- do_naive_mmul() : mmul_rectangular_test.cc, mmul_simple_many_test.cc, mmul_simple_test.cc
- do_output() : output.cc, output.h
- do_output_time() : output.cc, output.h
- do_power_method() : ci.cc
- do_scan_and_report() : scf_utils.cc
- do_sort_int_list() : integrals_2el_K_prep.cc, organize_distrs.cc
- do_summedIntegralList_contribs_self() : integrals_2el_util_funcs.cc, integrals_2el_util_funcs.h
- do_summedIntegralList_contribs_std() : integrals_2el_util_funcs.cc, integrals_2el_util_funcs.h
- do_tdhf_dynamics() : tdhf_dynamics.h, tdhf_dynamics.cc
- do_truncation() : simple_ort_puri_test.cc
- do_voutput() : output.cc, output.h
- do_voutput_printf() : output.cc, output.h
- dotIsBroken() : API_test.cc
- dpocon_() : mat_gblas.h
- dpotrf_() : mat_gblas.h
- dpptrf_() : mat_gblas.h
- drv1_clear() : functionals.c, functionals.h
- drv2_clear() : functionals.c, functionals.h
- drv3_clear() : functionals.c, functionals.h
- drv4_clear() : functionals.c, functionals.h
- dscal_() : mat_gblas.h
- dspgst_() : mat_gblas.h
- dstevr_() : mat_gblas.h
- dstevx_() : mat_gblas.h
- dsyev_() : mat_gblas.h
- dsygv_() : mat_gblas.h
- dsymm_() : mat_gblas.h
- dsymv_() : mat_gblas.h
- dsyrk_() : mat_gblas.h
- dtptri_() : mat_gblas.h
- dtrmm_() : mat_gblas.h
- dtrmv_() : mat_gblas.h
- dtrtri_() : mat_gblas.h
- dummyroutine() : template_lapack_common.cc