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
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- n -
n :
tblite_param_post_processing::post_processing_record_list
n0at :
tblite_wavefunction_type::wavefunction_type
n0sh :
tblite_wavefunction_type::wavefunction_type
name :
tblite_io_data_type::iodata_record
,
tblite_param::param_record
nang :
tblite_solvation_cds::cds_input
,
tblite_solvation_surface::surface_integrator
nao :
tblite_basis_type::basis_type
nao_cart :
tblite_basis_type::basis_type
nao_cart_sh :
tblite_basis_type::basis_type
nao_sh :
tblite_basis_type::basis_type
ncoord :
tblite_coulomb_multipole::damped_multipole
,
tblite_disp_d3::d3_dispersion
,
tblite_disp_d4::d4_dispersion
,
tblite_post_processing_xtbml_convolution::xtbml_convolution
,
tblite_post_processing_xtbml_geometry::xtbml_geometry_features
,
tblite_xtb_calculator::xtb_calculator
ncoord_en :
tblite_xtb_calculator::xtb_calculator
nel :
tblite_scf_solver::solver_type
,
tblite_wavefunction_type::wavefunction_type
new() :
tblite_context_solver::context_solver
,
tblite_context_solver::new
,
tblite_lapack_solver::lapack_solver
new_ceh_h0spec() :
tblite_ceh_ceh::ceh_h0spec
new_gfn1_h0spec() :
tblite_xtb_gfn1::gfn1_h0spec
new_gfn2_h0spec() :
tblite_xtb_gfn2::gfn2_h0spec
new_ipea1_h0spec() :
tblite_xtb_ipea1::ipea1_h0spec
new_param_h0spec() :
tblite_xtb_calculator::param_h0spec
new_terminal() :
tblite_context_terminal::context_terminal
next() :
tblite_scf_mixer_broyden::broyden_mixer
,
tblite_scf_mixer_type::mixer_type
ngauss :
tblite_param_element::element_record
nlat :
tblite_adjlist::adjacency_list
nltr :
tblite_adjlist::adjacency_list
nnl :
tblite_adjlist::adjacency_list
nocc :
tblite_wavefunction_type::wavefunction_type
npp :
tblite_post_processing_list::post_processing_list
nprim :
tblite_basis_type::cgto_type
nscale :
tblite_post_processing_xtbml_convolution::xtbml_convolution
nsh :
tblite_basis_type::basis_type
,
tblite_param_element::element_mask
,
tblite_param_element::element_record
nsh_at :
tblite_basis_type::basis_type
,
tblite_coulomb_thirdorder::onsite_thirdorder
,
tblite_spin::spin_polarization
nsh_id :
tblite_basis_type::basis_type
nshell :
tblite_coulomb_charge_type::coulomb_charge_type
nspin :
tblite_api_calculator::vp_calculator
,
tblite_wavefunction_type::wavefunction_type
nuhf :
tblite_wavefunction_type::wavefunction_type
num :
tblite_param_element::element_mask
,
tblite_param_element::element_record
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