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:
- n -
n0at :
tblite_wavefunction_type::wavefunction_type
n0sh :
tblite_wavefunction_type::wavefunction_type
name :
tblite_param::param_record
nang :
tblite_solvation_cds::cds_input
,
tblite_solvation_cpcm::cpcm_input
,
tblite_solvation_surface::surface_integrator
nao :
tblite_basis_type::basis_type
nao_sh :
tblite_basis_type::basis_type
nat :
tblite_solvation_cpcm_dd::domain_decomposition
ncav :
tblite_solvation_cpcm_dd::domain_decomposition
ncoord :
tblite_coulomb_multipole::damped_multipole
,
tblite_xtb_calculator::xtb_calculator
ncoord_en :
tblite_xtb_calculator::xtb_calculator
nel :
tblite_wavefunction_type::wavefunction_type
ngauss :
tblite_param_element::element_record
ngrid :
tblite_solvation_cpcm_dd::domain_decomposition
nlat :
tblite_adjlist::adjacency_list
nltr :
tblite_adjlist::adjacency_list
nnl :
tblite_adjlist::adjacency_list
nocc :
tblite_wavefunction_type::wavefunction_type
nprim :
tblite_basis_type::cgto_type
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
nylm :
tblite_solvation_cpcm_dd::domain_decomposition
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