Index

_

__version__ (in module pyci)

A

add_all_dets() (one_spin_wfn method) (two_spin_wfn method) add_det() (one_spin_wfn method) (two_spin_wfn method) add_dets_from_wfn() (one_spin_wfn method) (two_spin_wfn method) add_excitations() (in module pyci) add_excited_dets() (one_spin_wfn method) (two_spin_wfn method)

add_gkci() (in module pyci) add_hartreefock_det() (one_spin_wfn method) (two_spin_wfn method) add_hci() (in module pyci) add_occs() (one_spin_wfn method) (two_spin_wfn method) add_seniorities() (in module pyci) AP1roG (class in pyci.fanci) APIG (class in pyci.fanci)

C

c_double (in module pyci) c_long (in module pyci) c_ulong (in module pyci) compute_enpt2() (in module pyci) compute_jacobian() (AP1roG method) (APIG method) compute_objective() (AP1roG method) (APIG method) compute_overlap() (AP1roG method) (APIG method) (DetRatio method) (in module pyci) (pCCDS method)

compute_overlap_deriv() (AP1roG method) (APIG method) (DetRatio method) (pCCDS method) compute_rdms() (in module pyci)

D

data() (sparse_op method) DetRatio (class in pyci.fanci)

doci_wfn (class in pyci) dtype (sparse_op property)

E

ecore (secondquant_op property) (sparse_op property)

F

fullci_wfn (class in pyci)

G

genci_wfn (class in pyci)

get_element() (sparse_op method) get_num_threads() (in module pyci)

H

h (secondquant_op property)

hamiltonian (in module pyci)

I

index_det() (one_spin_wfn method) (two_spin_wfn method) index_det_from_rank() (one_spin_wfn method) (two_spin_wfn method)

indices() (sparse_op method) indptr() (sparse_op method)

M

make_senzero_integrals() (in module pyci)

matvec() (sparse_op method)

N

nbasis (secondquant_op property) (wavefunction property) nocc (wavefunction property) nocc_dn (wavefunction property)

nocc_up (wavefunction property) nvir (wavefunction property) nvir_dn (wavefunction property) nvir_up (wavefunction property)

O

one_mo (secondquant_op property)

one_spin_wfn (class in pyci)

P

pCCDS (class in pyci.fanci)

R

rank_det() (one_spin_wfn method) (two_spin_wfn method) reduce_senzero_integrals() (in module pyci)

reserve() (one_spin_wfn method) (sparse_op method) (two_spin_wfn method)

S

secondquant_op (class in pyci) set_num_threads() (in module pyci) shape (sparse_op property) size (sparse_op property) solve() (sparse_op method)

sparse_op (class in pyci) spinize_rdms() (in module pyci) squeeze() (sparse_op method) (wavefunction method) symmetric (sparse_op property)

T

to_det_array() (one_spin_wfn method) (two_spin_wfn method) to_file() (one_spin_wfn method) (secondquant_op method) (two_spin_wfn method)

to_occ_array() (one_spin_wfn method) (two_spin_wfn method) two_mo (secondquant_op property) two_spin_wfn (class in pyci)

U

update() (sparse_op method)

V

v (secondquant_op property)

W

w (secondquant_op property)

wavefunction (class in pyci)