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
- a -
a1 :
tblite_param_dispersion::dispersion_record
a2 :
tblite_param_dispersion::dispersion_record
acceptor :
tblite_classical_halogen::halogen_correction
accuracy :
tblite_api_calculator::vp_calculator
add() :
tblite_context_terminal::operator(+)
aes2 :
tblite_xtb_coulomb::tb_coulomb
algorithm :
tblite_lapack_solver::lapack_solver
alpb :
tblite_solvation_alpb::alpb_input
,
tblite_solvation_cds::cds_input
,
tblite_solvation_input::solvation_input
,
tblite_solvation_shift::shift_input
alpbet :
tblite_solvation_alpb::alpb_solvation
alpha :
tblite_basis_type::cgto_type
,
tblite_param_element::element_mask
,
tblite_param_element::element_record
,
tblite_repulsion_effective::tb_repulsion
ang :
tblite_basis_type::cgto_type
ang_grid :
tblite_solvation_surface::surface_integrator
ang_weight :
tblite_solvation_surface::surface_integrator
ao2at :
tblite_basis_type::basis_type
ao2sh :
tblite_basis_type::basis_type
average :
tblite_param_charge::charge_record
average_interface() :
tblite_coulomb_charge_effective::average_interface
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