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:
A
B
C
D
E
F
G
H
I
K
L
M
N
O
P
Q
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U
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Z
- d -
d3 :
tblite_param_dispersion::dispersion_record
damp :
tblite_scf_mixer_broyden::broyden_input
damping :
tblite_classical_halogen::halogen_correction
,
tblite_scf_mixer_input::mixer_input
ddx :
tblite_solvation_input::solvation_input
dens :
tblite_post_processing_xtbml::xtbml_type
density :
tblite_wavefunction_type::wavefunction_type
descreening :
tblite_solvation_alpb::alpb_input
diat_deriv :
tblite_integral_diat_trafo::diat_trafo_cache
diat_overlap :
tblite_integral_diat_trafo::diat_trafo_cache
dict :
tblite_results::results_type
dielectric_const :
tblite_solvation_alpb::alpb_input
dimi :
tblite_integral_diat_trafo::diat_trafo_cache
dimj :
tblite_integral_diat_trafo::diat_trafo_cache
dipole :
tblite_integral_type::integral_type
dispersion :
tblite_param::param_record
,
tblite_param_mask::param_mask
,
tblite_xtb_calculator::xtb_calculator
dkernel :
tblite_coulomb_multipole::damped_multipole
,
tblite_param_element::element_mask
,
tblite_param_element::element_record
dmp3 :
tblite_param_multipole::multipole_record
dmp5 :
tblite_param_multipole::multipole_record
do_diat_scale :
tblite_xtb_h0::tb_hamiltonian
dpat :
tblite_wavefunction_type::wavefunction_type
dpat_norm :
tblite_post_processing_xtbml_cache::xtbml_cache
dpsh :
tblite_post_processing_xtbml_cache::xtbml_cache
dpsh_norm :
tblite_post_processing_xtbml_cache::xtbml_cache
dqatdl :
tblite_wavefunction_type::wavefunction_type
dqatdr :
tblite_wavefunction_type::wavefunction_type
dqshdl :
tblite_wavefunction_type::wavefunction_type
dqshdr :
tblite_wavefunction_type::wavefunction_type
drot :
tblite_integral_diat_trafo::diat_trafo_cache
dvatdl :
tblite_scf_potential::potential_type
dvatdr :
tblite_scf_potential::potential_type
dvshdl :
tblite_scf_potential::potential_type
dvshdr :
tblite_scf_potential::potential_type
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