occ
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Here is a list of all namespace variables with links to the namespace documentation for each variable:
- a -
ANGSTROM_TO_BOHR :
occ::units
angstroms_per_bohr :
occ::constants
AU_TO_EV :
occ::units
AU_TO_KCAL_PER_MOL :
occ::units
AU_TO_KELVIN :
occ::units
AU_TO_KJ_PER_MOL :
occ::units
AU_TO_PER_CM :
occ::units
avogadro :
occ::constants
- b -
bohr_per_angstrom :
occ::constants
BOHR_TO_ANGSTROM :
occ::units
boltzmann :
occ::constants
- c -
CE1_XDM :
occ::interaction
CE1_XDM_B3LYP :
occ::interaction
CE1p_XDM_KREP :
occ::interaction
CE2_XDM :
occ::interaction
CE2_XDM_WB97MV :
occ::interaction
CE5_XDM :
occ::interaction
CE5_XDM_WB97MV :
occ::interaction
CE_B3LYP_631Gdp :
occ::interaction
CE_HF_321G :
occ::interaction
CE_XDM_FIT :
occ::interaction
celsius :
occ::constants
CORNERS :
occ::geometry::mc::tables
coulomb :
occ::cg::components
covalent_bond_tolerance :
occ::core
crystal_nn :
occ::cg::components
crystal_total :
occ::cg::components
CUBE_REMAP :
occ::geometry::mc::impl
- d -
deg_per_rad :
occ::constants
dilateM0 :
occ::geometry::constants
dilateM1 :
occ::geometry::constants
dilateM2 :
occ::geometry::constants
dilateT1 :
occ::geometry::constants
dilateT2 :
occ::geometry::constants
dilateT3 :
occ::geometry::constants
dilateTX :
occ::geometry::constants
dilateTY :
occ::geometry::constants
dilateTZ :
occ::geometry::constants
dim_pow_0 :
occ::geometry::constants
dim_pow_1 :
occ::geometry::constants
dim_pow_2 :
occ::geometry::constants
dispersion :
occ::cg::components
- e -
e :
occ::constants
EDGE_CONNECTION :
occ::geometry::mc::tables
EV_TO_KJ_PER_MOL :
occ::units
exchange :
occ::cg::components
- i -
inv_log2x3 :
occ::geometry::constants
is_scf_method_v :
occ::qm
- k -
kcal_per_kj :
occ::constants
kj_per_kcal :
occ::constants
KJ_TO_KCAL :
occ::units
- m -
max_leaf :
occ::core
max_level :
occ::geometry::constants
molar_gas_constant :
occ::constants
molar_mass_constant :
occ::constants
multipole_component_names :
occ::core
- n -
nthreads :
occ::parallel
- o -
OCC_MINIMAL_BASIS :
occ::qm
- p -
pi :
occ::constants
PI :
occ::units
planck :
occ::constants
polarization :
occ::cg::components
- r -
rad_per_deg :
occ::constants
repulsion :
occ::cg::components
- s -
shell_labels :
occ::gto
shift0A :
occ::geometry::constants
shift0B :
occ::geometry::constants
shift1A :
occ::geometry::constants
shift1B :
occ::geometry::constants
shift2A :
occ::geometry::constants
shift2B :
occ::geometry::constants
solvation_ab :
occ::cg::components
solvation_ba :
occ::cg::components
solvation_total :
occ::cg::components
speed_of_light :
occ::constants
sqrt_3 :
occ::geometry::mc::impl
sqrt_half_pi :
occ::constants
sqrt_pi :
occ::constants
sqrt_two_pi :
occ::constants
supports_density_fitting_v :
occ::qm
supports_point_charges_v :
occ::qm
- t -
total :
occ::cg::components
TRIANGLE_CONNECTION :
occ::geometry::mc::tables
two_pi :
occ::constants
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