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Here is a list of all documented data types members with links to the data structure documentation for each member
- 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_integrals : tblite_xtb_calculator::xtb_calculator
- sc : tblite_param_dispersion::dispersion_record
- 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
- solvent : tblite_solvation_alpb::alpb_input, tblite_solvation_cds::cds_input, tblite_solvation_shift::shift_input
- 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