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
X
Z
- q -
qat :
tblite_post_processing_xtbml_cache::xtbml_cache
,
tblite_wavefunction_type::wavefunction_type
qkernel :
tblite_coulomb_multipole::damped_multipole
,
tblite_param_element::element_mask
,
tblite_param_element::element_record
qpat :
tblite_wavefunction_type::wavefunction_type
qpat_norm :
tblite_post_processing_xtbml_cache::xtbml_cache
qpsh :
tblite_post_processing_xtbml_cache::xtbml_cache
qpsh_norm :
tblite_post_processing_xtbml_cache::xtbml_cache
qsh :
tblite_wavefunction_type::wavefunction_type
quadrupole :
tblite_integral_type::integral_type
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