tblite
Light-weight tight-binding framework
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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
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
srcut :
tblite_solvation_surface::surface_integrator
svdw :
tblite_solvation_born::born_integrator
sym :
tblite_param_element::element_mask
,
tblite_param_element::element_record
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