tblite
Light-weight tight-binding framework
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Here is a list of all documented variables with links to the struct/union documentation for each field:
- 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
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
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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