tblite
Light-weight tight-binding framework
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Here is a list of all documented namespace variables with links to the namespaces they belong to:
atomic_rad :
tblite_data_atomicrad
born_kernel :
tblite_solvation_alpb
coulomb_kernel :
tblite_coulomb_charge
default_kcn :
tblite_ncoord_erf
,
tblite_ncoord_erf_en
,
tblite_ncoord_exp
grid_size :
tblite_mesh_lebedev
ka :
tblite_ncoord_gfn
label :
tblite_solvation_alpb
,
tblite_solvation_cds
,
tblite_solvation_cpcm
,
tblite_spin
lapack_algorithm :
tblite_lapack_solver
pauling_en :
tblite_data_paulingen
tblite_version_compact :
tblite_version
tblite_version_string :
tblite_version
thr :
tblite_wignerseitz
tolsesp :
tblite_solvation_surface
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