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:
- m -
max_iter :
tblite_xtb_calculator::xtb_calculator
maxl :
tblite_basis_type::basis_type
memory :
tblite_scf_mixer_broyden::broyden_input
method :
tblite_xtb_calculator::xtb_calculator
min_alpha :
tblite_basis_type::basis_type
mixer_damping :
tblite_xtb_calculator::xtb_calculator
model :
tblite_disp_d4::d4_dispersion
molar_mass :
tblite_solvation_shift::shift_input
moldipm :
tblite_param_molecular_moments::molecular_multipole_record
molqp :
tblite_param_molecular_moments::molecular_multipole_record
mprad :
tblite_param_element::element_record
mpvcn :
tblite_param_element::element_record
multipole :
tblite_param::param_record
,
tblite_param_mask::param_mask
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