Here is a list of all documented data types members with links to the data structure documentation for each member

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D

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- d -

• d3 : tblite_param_dispersion::dispersion_record
• damp : tblite_scf_mixer_broyden::broyden_input
• damping : tblite_classical_halogen::halogen_correction, tblite_scf_mixer_input::mixer_input
• ddx : tblite_solvation_input::solvation_input
• delete() : tblite_context_solver::context_solver, tblite_lapack_solver::lapack_solver, tblite_scf_diag::diag_solver_type, tblite_scf_solver::solver_type
• dens : tblite_post_processing_xtbml::xtbml_type
• density : tblite_wavefunction_type::wavefunction_type
• descreening : tblite_solvation_alpb::alpb_input
• diat_deriv : tblite_integral_diat_trafo::diat_trafo_cache
• diat_overlap : tblite_integral_diat_trafo::diat_trafo_cache
• dict : tblite_results::results_type
• dielectric_const : tblite_solvation_alpb::alpb_input
• diff() : tblite_scf_mixer_type::mixer_type
• diff_1d() : tblite_scf_mixer_broyden::broyden_mixer, tblite_scf_mixer_type::mixer_type
• diff_2d() : tblite_scf_mixer_type::mixer_type
• diff_3d() : tblite_scf_mixer_type::mixer_type
• dimi : tblite_integral_diat_trafo::diat_trafo_cache
• dimj : tblite_integral_diat_trafo::diat_trafo_cache
• dipole : tblite_integral_type::integral_type
• dispersion : tblite_param::param_record, tblite_param_mask::param_mask, tblite_xtb_calculator::xtb_calculator
• dkernel : tblite_coulomb_multipole::damped_multipole, tblite_param_element::element_mask, tblite_param_element::element_record
• dmp3 : tblite_param_multipole::multipole_record
• dmp5 : tblite_param_multipole::multipole_record
• do_diat_scale : tblite_xtb_h0::tb_hamiltonian
• dpat : tblite_wavefunction_type::wavefunction_type
• dpat_norm : tblite_post_processing_xtbml_cache::xtbml_cache
• dpsh : tblite_post_processing_xtbml_cache::xtbml_cache
• dpsh_norm : tblite_post_processing_xtbml_cache::xtbml_cache
• dqatdl : tblite_wavefunction_type::wavefunction_type
• dqatdr : tblite_wavefunction_type::wavefunction_type
• dqshdl : tblite_wavefunction_type::wavefunction_type
• dqshdr : tblite_wavefunction_type::wavefunction_type
• drot : tblite_integral_diat_trafo::diat_trafo_cache
• dump() : tblite_double_dictionary::double_dictionary_type, tblite_io_tag::tagged_data, tblite_param::param_record, tblite_param_charge::charge_record, tblite_param_dispersion::dispersion_record, tblite_param_element::element_record, tblite_param_halogen::halogen_record, tblite_param_hamiltonian::hamiltonian_record, tblite_param_multipole::multipole_record, tblite_param_post_processing::post_processing_record_list, tblite_param_repulsion::repulsion_record, tblite_param_serde::serde_record, tblite_param_thirdorder::thirdorder_record
• dump_to_file() : tblite_double_dictionary::double_dictionary_type
• dump_to_toml() : tblite_fit_settings::fit_settings, tblite_param::param_record, tblite_param_charge::charge_record, tblite_param_dispersion::dispersion_record, tblite_param_element::element_record, tblite_param_halogen::halogen_record, tblite_param_hamiltonian::hamiltonian_record, tblite_param_mask::param_mask, tblite_param_multipole::multipole_record, tblite_param_post_processing::post_processing_record_list, tblite_param_post_processing_molmom::molmom_record, tblite_param_post_processing_xtbml::xtbml_record, tblite_param_repulsion::repulsion_record, tblite_param_serde::serde_record, tblite_param_thirdorder::thirdorder_record
• dvatdl : tblite_scf_potential::potential_type
• dvatdr : tblite_scf_potential::potential_type
• dvshdl : tblite_scf_potential::potential_type
• dvshdr : tblite_scf_potential::potential_type