Index

A

add_terms() (autohf.AutoHFHamiltonian method) autohf.interfaces module autohf.interfaces.afqmctools module autohf.io module autohf.options module autohf.terms module

autohf.terms.cholesky module autohf.terms.ghf module autohf.terms.uhf module autohf.tools module AutoHFHamiltonian (class in autohf)

C

CLOSED (autohf.interfaces.afqmctools.SpinSymm attribute) (autohf.options.SlaterType attribute) COLLINEAR (autohf.interfaces.afqmctools.SpinSymm attribute) (autohf.options.SlaterType attribute)

create_polarized_func() (in module autohf.tools) CUSTOM (autohf.options.RepOptions attribute)

D

DIAG (autohf.options.RepOptions attribute)

F

fail_without_afqmctools() (in module autohf.interfaces.afqmctools)

G

get() (autohf.AutoHFHamiltonian method) get_ansatz() (in module autohf.options) get_one_body() (autohf.AutoHFHamiltonian method) GHF (autohf.options.SlaterType attribute)

ghf_J() (in module autohf.terms.ghf) ghf_Jheis() (in module autohf.terms.ghf) ghf_U() (in module autohf.terms.ghf) ghf_U1() (in module autohf.terms.ghf) ghf_U2() (in module autohf.terms.ghf)

H

Hamiltonian (class in autohf.interfaces.afqmctools) hf_cholesky() (in module autohf.terms.cholesky)

hf_fock() (in module autohf.terms.cholesky) hf_hartree() (in module autohf.terms.cholesky) hf_onebody() (in module autohf.terms.cholesky)

K

keys() (autohf.AutoHFHamiltonian method)

L

loadStates() (in module autohf.io)

M

module autohf.interfaces autohf.interfaces.afqmctools autohf.io autohf.options autohf.terms autohf.terms.cholesky autohf.terms.ghf autohf.terms.uhf autohf.tools

N

NONCOLLINEAR (autohf.interfaces.afqmctools.SpinSymm attribute) (autohf.options.SlaterType attribute)

NONE (autohf.options.RepOptions attribute) (autohf.options.SlaterType attribute)

P

process_args() (in module autohf.options)

R

read_input_params() (in module autohf.io) RepOptions (class in autohf.options)

RHF (autohf.options.SlaterType attribute) rhf_hop() (in module autohf.terms.uhf)

S

saveStates() (in module autohf.io) sd_to_rdm() (in module autohf.tools) sd_to_rdm_noncollinear() (in module autohf.tools) set() (autohf.AutoHFHamiltonian method) skip_without_afqmctools() (in module autohf.interfaces.afqmctools) SLATERDET (autohf.options.RepOptions attribute) SLATERDET_ROT (autohf.options.RepOptions attribute)

SLATERDET_ROTC (autohf.options.RepOptions attribute) SLATERDETC (autohf.options.RepOptions attribute) SlaterType (class in autohf.options) solve_hf() (in module autohf) spin_squared() (in module autohf.interfaces.afqmctools) spin_z() (in module autohf.interfaces.afqmctools) SpinSymm (class in autohf.interfaces.afqmctools)

U

UHF (autohf.options.SlaterType attribute) uhf_J() (in module autohf.terms.uhf) uhf_Jheis() (in module autohf.terms.uhf)

uhf_to_ghf() (in module autohf.tools) uhf_U() (in module autohf.terms.uhf) uhf_U1() (in module autohf.terms.uhf) uhf_U2() (in module autohf.terms.uhf)