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

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- s -

• s6 : tblite_param_dispersion::dispersion_record
• s8 : tblite_param_dispersion::dispersion_record
• s9 : tblite_param_dispersion::dispersion_record
• sasa : tblite_solvation_cds::cds_solvation
• save_i4_r1() : tblite_io_data_hdf5::hdf5_data, tblite_io_data_npz::npz_data, tblite_io_data_type::iodata_type
• save_integrals : tblite_xtb_calculator::xtb_calculator
• save_npy_i4_r1() : tblite_io_numpy_save::save_npy
• save_npy_rdp_r1() : tblite_io_numpy_save::save_npy
• save_npy_rdp_r2() : tblite_io_numpy_save::save_npy
• save_npy_rdp_r3() : tblite_io_numpy_save::save_npy
• save_npz_i4_r1() : tblite_io_numpy_savez::save_npz
• save_npz_rdp_r1() : tblite_io_numpy_savez::save_npz
• save_npz_rdp_r2() : tblite_io_numpy_savez::save_npz
• save_npz_rdp_r3() : tblite_io_numpy_savez::save_npz
• save_rdp_r1() : tblite_io_data_hdf5::hdf5_data, tblite_io_data_npz::npz_data, tblite_io_data_type::iodata_type
• save_rdp_r2() : tblite_io_data_hdf5::hdf5_data, tblite_io_data_npz::npz_data, tblite_io_data_type::iodata_type
• save_rdp_r3() : tblite_io_data_hdf5::hdf5_data, tblite_io_data_npz::npz_data, tblite_io_data_type::iodata_type
• sc : tblite_param_dispersion::dispersion_record
• scf : tblite_scf_mixer_input::mixer_input
• selfenergy : tblite_xtb_h0::tb_hamiltonian
• set() : tblite_scf_mixer_type::mixer_type
• set_1d() : tblite_scf_mixer_broyden::broyden_mixer, tblite_scf_mixer_type::mixer_type, tblite_scf_mixer_type::set_1d
• set_2d() : tblite_scf_mixer_type::mixer_type
• set_3d() : tblite_scf_mixer_type::mixer_type
• sh2at : tblite_basis_type::basis_type
• shell_resolved : tblite_coulomb_charge_type::coulomb_charge_type, tblite_coulomb_thirdorder::onsite_thirdorder
• shift : tblite_coulomb_multipole::damped_multipole, tblite_param_multipole::multipole_record, tblite_solvation_input::solvation_input
• shpoly : tblite_param_element::element_mask, tblite_param_element::element_record, tblite_xtb_h0::tb_hamiltonian
• sigma : tblite_api_result::vp_result
• slater : tblite_param_element::element_mask, tblite_param_element::element_record
• slater_to_gauss_array() : tblite_basis_slater::slater_to_gauss
• slater_to_gauss_cgto() : tblite_basis_slater::slater_to_gauss
• smooth : tblite_param_dispersion::dispersion_record
• smooth_cutoff : tblite_xtb_calculator::xtb_config, tblite_xtb_config
• solvent : tblite_solvation_alpb::alpb_input, tblite_solvation_cds::cds_input, tblite_solvation_shift::shift_input
• spherical_to_cartesian_trafo() : tblite_basis_type::basis_type
• srcut : tblite_solvation_surface::surface_integrator
• state : tblite_solvation_shift::shift_input
• svdw : tblite_solvation_born::born_integrator
• sym : tblite_param_element::element_mask, tblite_param_element::element_record