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
R
S
T
U
V
W
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Z
- r -
rad :
tblite_classical_halogen::halogen_correction
,
tblite_coulomb_multipole::damped_multipole
,
tblite_solvation_cds::cds_input
,
tblite_xtb_h0::tb_hamiltonian
raw :
tblite_container_cache::container_cache
rcov :
tblite_post_processing_xtbml_convolution::xtbml_convolution
rcov_scale :
tblite_post_processing_xtbml_convolution::xtbml_convolution
record :
tblite_param::param_record
,
tblite_param_mask::param_mask
ref :
tblite_param_mask::param_mask
reference :
tblite_param::param_record
refocc :
tblite_param_element::element_record
,
tblite_xtb_h0::tb_hamiltonian
repulsion :
tblite_param::param_record
,
tblite_param_mask::param_mask
,
tblite_xtb_calculator::xtb_calculator
results :
tblite_api_result::vp_result
return_xyz :
tblite_post_processing_xtbml_density::xtbml_density_features
rexp :
tblite_repulsion_effective::tb_repulsion
rho :
tblite_solvation_born::born_integrator
,
tblite_solvation_shift::shift_input
rmax :
tblite_coulomb_multipole::damped_multipole
,
tblite_param_multipole::multipole_record
rot :
tblite_integral_diat_trafo::diat_trafo_cache
rot_ylim :
tblite_integral_diat_trafo::diat_trafo_cache
rvdw :
tblite_solvation_alpb::alpb_input
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