Index

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__init__() (psi4_losc.losc_options.Options method) (py_losc.CurvatureV1 method) (py_losc.CurvatureV2 method) (py_losc.DFAInfo method) (py_losc.LocalizerV2 method)

A

ao_hamiltonian_correction() (in module py_losc)

B

B3LYP (in module psi4_losc)

BLYP (in module psi4_losc)

C

cost_func() (py_losc.LocalizerV2 method)

CurvatureV1 (class in py_losc) CurvatureV2 (class in py_losc)

D

DFAInfo (class in py_losc)

E

energy_correction() (in module py_losc)

G

get_param() (psi4_losc.losc_options.Options method)

GGA (in module psi4_losc) gga_x() (py_losc.DFAInfo method)

H

hf_x() (py_losc.DFAInfo method)

I

is_converged() (py_losc.LocalizerV2 method)

K

kappa() (py_losc.CurvatureV1 method) (py_losc.CurvatureV2 method)

L

lo() (py_losc.LocalizerV2 method) lo_U() (py_losc.LocalizerV2 method)

local_occupation() (in module py_losc) LocalizerV2 (class in py_losc)

M

module psi4_losc.scf py_losc

N

name() (py_losc.DFAInfo method) nfitbasis() (py_losc.CurvatureV1 method) (py_losc.CurvatureV2 method)

nlo() (py_losc.CurvatureV1 method) (py_losc.CurvatureV2 method) npts() (py_losc.CurvatureV1 method) (py_losc.CurvatureV2 method)

O

Options (class in psi4_losc.losc_options)

options (in module psi4_losc) orbital_energy_post_scf() (in module py_losc)

P

PBE (in module psi4_losc) PBE0 (in module psi4_losc) post_scf_losc() (in module psi4_losc)

psi4_losc.scf module py_losc module

S

scf() (in module psi4_losc.scf) scf_losc() (in module psi4_losc) (in module psi4_losc.scf) set_c() (py_losc.LocalizerV2 method) set_convergence() (py_losc.LocalizerV2 method) set_gamma() (py_losc.LocalizerV2 method) set_max_iter() (py_losc.LocalizerV2 method)

set_param() (psi4_losc.losc_options.Options method) set_params() (psi4_losc.losc_options.Options method) set_random_permutation() (py_losc.LocalizerV2 method) set_tau() (py_losc.CurvatureV1 method) (py_losc.CurvatureV2 method) set_zeta() (py_losc.CurvatureV2 method) steps() (py_losc.LocalizerV2 method)