Index

A

ac_eval() (fcdmft.ac.interface.AC_Method method) (fcdmft.ac.pade.PadeAC method) (fcdmft.ac.two_pole.TwoPoleAC method) ac_fit() (fcdmft.ac.interface.AC_Method method) (fcdmft.ac.pade.PadeAC method) (fcdmft.ac.two_pole.TwoPoleAC method) AC_Method (class in fcdmft.ac.interface) AC_pade_thiele_diag() (in module fcdmft.ac.pade) AC_pade_thiele_full() (in module fcdmft.ac.pade) AC_twopole_diag() (in module fcdmft.ac.two_pole) AC_twopole_full() (in module fcdmft.ac.two_pole) analyze() (fcdmft.gw.mol.bse.BSE method) ao2mo() (fcdmft.df.df.DF method) (fcdmft.df.df.DF4C method) (fcdmft.gw.mol.gw_ac.GWAC method) (fcdmft.gw.mol.ugw_ac.UGWAC method) (fcdmft.gw.pbc.gw_ac.GWAC method) (fcdmft.rpa.mol.rpa.RPA method) (fcdmft.rpa.mol.urpa.URPA method) (fcdmft.rpa.mp2.mol.mp2qp.MP2QP method) (fcdmft.rpa.mp2.mol.qsmp2.QSMP2 method) (fcdmft.rpa.pbc.rpa.RPA method) (fcdmft.rpa.pbc.urpa.URPA method)

AOPair (class in fcdmft.utils.cholesky) AOPairs (class in fcdmft.utils.cholesky) array_scale() (in module fcdmft.utils.arraymath) as_scanner() (fcdmft.rpa.mol.rpa.RPA method) (fcdmft.rpa.mol.urpa.URPA method) (in module fcdmft.rpa.mol.rpa) (in module fcdmft.rpa.mol.urpa) aug_etb() (in module fcdmft.df.addons) aug_etb_for_dfbasis() (in module fcdmft.df.addons) aux_e1() (in module fcdmft.df.incore) aux_e2() (in module fcdmft.df.incore) auxbasis (fcdmft.df.df.DF property)

B

blockdim (fcdmft.df.df.DF attribute) BSE (class in fcdmft.gw.mol.bse) bse_davidson() (in module fcdmft.gw.mol.bse)

bse_full_diagonalization() (in module fcdmft.gw.mol.bse) bse_lanczos() (in module fcdmft.gw.mol.bse) build() (fcdmft.df.df.DF method) (fcdmft.df.df.DF4C method)

C

cas_ccsd() (in module fcdmft.dmft.dmft_solver) cas_cisd() (in module fcdmft.dmft.dmft_solver) cas_gw() (in module fcdmft.dmft.dmft_solver) cas_hf() (in module fcdmft.dmft.dmft_solver) cas_uccsd() (in module fcdmft.dmft.dmft_solver) cc_gf() (in module fcdmft.dmft.dmft_solver) cc_gf_mor() (in module fcdmft.dmft.dmft_solver) cc_rdm() (in module fcdmft.dmft.dmft_solver) CCGF (class in fcdmft.solver.ccgf) (class in fcdmft.solver.ccgf_mor) (class in fcdmft.solver.mpiccgf) (class in fcdmft.solver.mpiccgf_mor)

check_memory() (fcdmft.gw.mol.bse.BSE method) check_memory_gw() (in module fcdmft.utils.memory_estimate) check_memory_gwbse() (in module fcdmft.utils.memory_estimate) check_memory_rpa() (in module fcdmft.utils.memory_estimate) cholesky (class in fcdmft.utils.cholesky) cholesky_eri() (in module fcdmft.df.incore) (in module fcdmft.df.outcore) cholesky_eri_b() (in module fcdmft.df.outcore) cholesky_eri_debug() (in module fcdmft.df.incore) cholesky_eri_loop() (in module fcdmft.df.direct) contract_2e() (in module fcdmft.solver.fcigf) (in module fcdmft.solver.mpifcigf)

D

density_fit() (in module fcdmft.df) DF (class in fcdmft.df.df) DF4C (class in fcdmft.df.df) diag_array_view() (in module fcdmft.utils.arraymath) diagonal() (fcdmft.ac.interface.AC_Method method) (fcdmft.ac.pade.PadeAC method) (fcdmft.ac.two_pole.TwoPoleAC method) diagonalize_phrpa() (in module fcdmft.gw.mol.gw_exact) (in module fcdmft.gw.mol.ugw_exact) diagonalize_pprpa_singlet() (in module fcdmft.solver.rpa_solver) diagonalize_pprpa_triplet() (in module fcdmft.solver.rpa_solver) diis_file (fcdmft.rpa.mp2.mol.qsmp2.QSMP2 attribute) (fcdmft.rpa.mp2.pbc.kqsmp2.KQSMP2 attribute) diis_space (fcdmft.rpa.mp2.mol.qsmp2.QSMP2 attribute) (fcdmft.rpa.mp2.pbc.kqsmp2.KQSMP2 attribute) diis_start_cycle (fcdmft.rpa.mp2.mol.qsmp2.QSMP2 attribute) (fcdmft.rpa.mp2.pbc.kqsmp2.KQSMP2 attribute) dmrg_gf() (in module fcdmft.dmft.dmft_solver) dmrg_rdm() (in module fcdmft.dmft.dmft_solver) do_cd() (in module fcdmft.dmft.dmft_solver) dump_chk() (fcdmft.gw.mol.qsgw.QSGW method) (fcdmft.gw.mol.uqsgw.UQSGW method) (fcdmft.gw.pbc.krqsgw.KRQSGW method) dump_flags() (fcdmft.df.df.DF method) (fcdmft.gw.mol.bse.BSE method) (fcdmft.gw.mol.evgw.EVGW method) (fcdmft.gw.mol.evgw_exact.EVGWExact method) (fcdmft.gw.mol.gw_ac.GWAC method) (fcdmft.gw.mol.gw_exact.GWExact method) (fcdmft.gw.mol.gw_space_time.GWSpaceTime method) (fcdmft.gw.mol.qsgw.QSGW method) (fcdmft.gw.mol.qsgw_exact.QSGWExact method) (fcdmft.gw.mol.scgw.SCGW method) (fcdmft.gw.mol.uevgw.UEVGW method) (fcdmft.gw.mol.uevgw_exact.UEVGWExact method) (fcdmft.gw.mol.ugw_ac.UGWAC method) (fcdmft.gw.mol.ugw_exact.UGWExact method) (fcdmft.gw.mol.uqsgw.UQSGW method) (fcdmft.gw.mol.uqsgw_exact.UQSGWExact method) (fcdmft.gw.pbc.krevgw.KREVGW method) (fcdmft.gw.pbc.krgw_ac.KRGWAC method) (fcdmft.gw.pbc.krqsgw.KRQSGW method) (fcdmft.gw.pbc.kuevgw.KUEVGW method) (fcdmft.gw.pbc.kugw_ac.KUGWAC method) (fcdmft.gw.pbc.kuqsgw.KUQSGW method) (fcdmft.rpa.mol.rpa.RPA method) (fcdmft.rpa.mol.urpa.URPA method) (fcdmft.rpa.mp2.mol.mp2qp.MP2QP method) (fcdmft.rpa.mp2.mol.qsmp2.QSMP2 method) (fcdmft.rpa.mp2.pbc.kmp2qp.KMP2QP method) (fcdmft.rpa.mp2.pbc.kqsmp2.KQSMP2 method) (fcdmft.rpa.pbc.krpa.KRPA method) (fcdmft.rpa.pbc.krpa_slow.KRPA method) (fcdmft.rpa.pbc.kurpa.KURPA method)

E

ea_shape() (in module fcdmft.solver.ccgf) (in module fcdmft.solver.ccgf_mor) (in module fcdmft.solver.mpiccgf) (in module fcdmft.solver.mpiccgf_mor) eaccsd_ao() (fcdmft.solver.ccgf.CCGF method) (fcdmft.solver.ccgf_mor.CCGF method) (fcdmft.solver.mpiccgf.CCGF method) (fcdmft.solver.mpiccgf_mor.CCGF method) (fcdmft.solver.mpiuccgf.UCCGF method) (fcdmft.solver.mpiuccgf_mor.UCCGF method) (fcdmft.solver.uccgf.UCCGF method) eaccsd_mo() (fcdmft.solver.ccgf.CCGF method) (fcdmft.solver.ccgf_mor.CCGF method) (fcdmft.solver.mpiccgf.CCGF method) (fcdmft.solver.mpiccgf_mor.CCGF method) (fcdmft.solver.mpiuccgf.UCCGF method) (fcdmft.solver.mpiuccgf_mor.UCCGF method) (fcdmft.solver.uccgf.UCCGF method)

eafci_mo() (fcdmft.solver.fcigf.FCIGF method) (fcdmft.solver.mpifcigf.FCIGF method) eafci_mo_mor() (fcdmft.solver.mpifcigf.FCIGF method) eafci_mo_slow() (fcdmft.solver.fcigf.FCIGF method) energy_tot() (fcdmft.gw.mol.gw_ac.GWAC method) (fcdmft.gw.mol.gw_exact.GWExact method) (fcdmft.gw.mol.gw_space_time.GWSpaceTime method) (fcdmft.gw.mol.qsgw.QSGW method) (fcdmft.gw.mol.qsgw_exact.QSGWExact method) (fcdmft.gw.mol.scgw.SCGW method) (fcdmft.gw.mol.ugw_exact.UGWExact method) (fcdmft.gw.mol.uqsgw_exact.UQSGWExact method) eri_mo_nochol() (in module fcdmft.df.incore) (in module fcdmft.df.outcore) EVGW (class in fcdmft.gw.mol.evgw) EVGWExact (class in fcdmft.gw.mol.evgw_exact)

F

fcdmft module fcdmft.ac module fcdmft.ac.grids module fcdmft.ac.interface module fcdmft.ac.pade module fcdmft.ac.two_pole module fcdmft.df module fcdmft.df.addons module fcdmft.df.df module fcdmft.df.direct module fcdmft.df.incore module fcdmft.df.outcore module fcdmft.dmft module fcdmft.dmft.dmft_solver module fcdmft.gw module fcdmft.gw.minimax module fcdmft.gw.minimax.fourier_transform module fcdmft.gw.minimax.minimax_exp_gw module fcdmft.gw.minimax.minimax_rpa module fcdmft.gw.mol module fcdmft.gw.mol.bse module fcdmft.gw.mol.evgw module fcdmft.gw.mol.evgw_exact module fcdmft.gw.mol.gw_ac module fcdmft.gw.mol.gw_cd module fcdmft.gw.mol.gw_exact module fcdmft.gw.mol.gw_gf module fcdmft.gw.mol.gw_space_time module fcdmft.gw.mol.qsgw module fcdmft.gw.mol.qsgw_exact module fcdmft.gw.mol.scgw module fcdmft.gw.mol.uevgw module fcdmft.gw.mol.uevgw_exact module fcdmft.gw.mol.ugw_ac module fcdmft.gw.mol.ugw_cd module fcdmft.gw.mol.ugw_exact module fcdmft.gw.mol.ugw_gf module fcdmft.gw.mol.uqsgw module fcdmft.gw.mol.uqsgw_exact module fcdmft.gw.pbc module fcdmft.gw.pbc.gw_ac module fcdmft.gw.pbc.gw_gf module fcdmft.gw.pbc.krevgw module fcdmft.gw.pbc.krgw_ac module fcdmft.gw.pbc.krgw_gf module fcdmft.gw.pbc.krqsgw module fcdmft.gw.pbc.kuevgw module

fcdmft.gw.pbc.kugw_ac module fcdmft.gw.pbc.kugw_gf module fcdmft.gw.pbc.kuqsgw module fcdmft.rpa module fcdmft.rpa.mol module fcdmft.rpa.mol.rpa module fcdmft.rpa.mol.urpa module fcdmft.rpa.mp2 module fcdmft.rpa.mp2.mol module fcdmft.rpa.mp2.mol.mp2qp module fcdmft.rpa.mp2.mol.qsmp2 module fcdmft.rpa.mp2.pbc module fcdmft.rpa.mp2.pbc.kmp2qp module fcdmft.rpa.mp2.pbc.kqsmp2 module fcdmft.rpa.pbc module fcdmft.rpa.pbc.krpa module fcdmft.rpa.pbc.krpa_slow module fcdmft.rpa.pbc.kurpa module fcdmft.rpa.pbc.rpa module fcdmft.rpa.pbc.urpa module fcdmft.solver module fcdmft.solver.casno module fcdmft.solver.ccgf module fcdmft.solver.ccgf_mor module fcdmft.solver.fcigf module fcdmft.solver.gmres module fcdmft.solver.mpiccgf module fcdmft.solver.mpiccgf_mor module fcdmft.solver.mpifcigf module fcdmft.solver.mpiuccgf module fcdmft.solver.mpiuccgf_mor module fcdmft.solver.rpa_solver module fcdmft.solver.ucc_eri module fcdmft.solver.uccgf module fcdmft.utils module fcdmft.utils.arraymath module fcdmft.utils.cholesky module fcdmft.utils.interpolate module fcdmft.utils.kpts module fcdmft.utils.memory_estimate module fcdmft.utils.worksteal module fcdmft.utils.write module fci_gf() (in module fcdmft.dmft.dmft_solver) fci_kernel() (in module fcdmft.dmft.dmft_solver) fci_rdm() (in module fcdmft.dmft.dmft_solver) FCIGF (class in fcdmft.solver.fcigf) (class in fcdmft.solver.mpifcigf) FCIsol (class in fcdmft.dmft.dmft_solver) fill_2c2e() (in module fcdmft.df.incore) finalize() (fcdmft.utils.worksteal.MPIWorkStealingScheduler method) FT_test_bosonic() (in module fcdmft.gw.mol.scgw) FT_test_fermionic() (in module fcdmft.gw.mol.scgw) full_diagonalization() (fcdmft.gw.mol.bse.BSE method)

G

GDF (in module fcdmft.df.df) GDF4C (in module fcdmft.df.df) general() (in module fcdmft.df.outcore) get_ao_eri() (fcdmft.df.df.DF method) (fcdmft.df.df.DF4C method) get_aopair() (fcdmft.utils.cholesky.AOPairs method) get_bands() (in module fcdmft.utils.interpolate) get_coeff_26() (in module fcdmft.gw.minimax.minimax_exp_gw) (in module fcdmft.gw.minimax.minimax_rpa) get_coeff_28() (in module fcdmft.gw.minimax.minimax_exp_gw) (in module fcdmft.gw.minimax.minimax_rpa) get_coeff_30() (in module fcdmft.gw.minimax.minimax_exp_gw) (in module fcdmft.gw.minimax.minimax_rpa) get_coeff_32() (in module fcdmft.gw.minimax.minimax_exp_gw) (in module fcdmft.gw.minimax.minimax_rpa) get_coeff_34() (in module fcdmft.gw.minimax.minimax_exp_gw) (in module fcdmft.gw.minimax.minimax_rpa) get_davidson_trial_vector() (in module fcdmft.gw.mol.bse) get_ef() (fcdmft.gw.mol.gw_ac.GWAC method) (fcdmft.gw.mol.ugw_ac.UGWAC method) (in module fcdmft.gw.pbc.krgw_ac) (in module fcdmft.gw.pbc.kugw_ac) get_ehf() (fcdmft.rpa.mol.rpa.RPA method) (fcdmft.rpa.mol.urpa.URPA method) (fcdmft.rpa.pbc.rpa.RPA method) (fcdmft.rpa.pbc.urpa.URPA method) get_eri() (fcdmft.df.df.DF method) (fcdmft.df.df.DF4C method) get_eri_diag() (fcdmft.utils.cholesky.AOPairs method) (in module fcdmft.utils.cholesky) get_excitation_from_eigenvector() (in module fcdmft.gw.mol.bse) get_exp_minimax_coeff_gw() (in module fcdmft.gw.minimax.minimax_exp_gw) get_fit_coef_k01() (in module fcdmft.gw.minimax.minimax_rpa) get_fit_coef_k02() (in module fcdmft.gw.minimax.minimax_rpa) get_fit_coef_k03() (in module fcdmft.gw.minimax.minimax_rpa) get_fit_coef_k04() (in module fcdmft.gw.minimax.minimax_rpa) get_fit_coef_k05() (in module fcdmft.gw.minimax.minimax_rpa) get_fit_coef_k06() (in module fcdmft.gw.minimax.minimax_rpa) get_fit_coef_k07() (in module fcdmft.gw.minimax.minimax_rpa) get_fit_coef_k08() (in module fcdmft.gw.minimax.minimax_rpa) get_fit_coef_k09() (in module fcdmft.gw.minimax.minimax_rpa) get_fit_coef_k10() (in module fcdmft.gw.minimax.minimax_rpa) get_fit_coef_k11() (in module fcdmft.gw.minimax.minimax_rpa) get_fit_coef_k12() (in module fcdmft.gw.minimax.minimax_rpa) get_fit_coef_k13() (in module fcdmft.gw.minimax.minimax_rpa) get_fit_coef_k14() (in module fcdmft.gw.minimax.minimax_rpa) get_fit_coef_k15() (in module fcdmft.gw.minimax.minimax_rpa) get_fit_coef_k16() (in module fcdmft.gw.minimax.minimax_rpa) get_fit_coef_k17() (in module fcdmft.gw.minimax.minimax_rpa) get_fit_coef_k18() (in module fcdmft.gw.minimax.minimax_rpa) get_fit_coef_k19() (in module fcdmft.gw.minimax.minimax_rpa) get_fit_coef_k20() (in module fcdmft.gw.minimax.minimax_rpa) get_frequency_minimax_grid() (in module fcdmft.gw.minimax.minimax_rpa) get_frozen_mask() (fcdmft.gw.mol.gw_ac.GWAC method) (fcdmft.gw.mol.ugw_ac.UGWAC method) (fcdmft.rpa.mol.rpa.RPA method) (fcdmft.rpa.mol.urpa.URPA method) (fcdmft.rpa.mp2.mol.mp2qp.MP2QP method) (fcdmft.rpa.mp2.mol.qsmp2.QSMP2 method) (fcdmft.rpa.mp2.pbc.kmp2qp.KMP2QP method) (fcdmft.rpa.mp2.pbc.kqsmp2.KQSMP2 method) (fcdmft.rpa.pbc.krpa.KRPA method) (fcdmft.rpa.pbc.krpa_slow.KRPA method) (fcdmft.rpa.pbc.kurpa.KURPA method) get_ft_weight() (in module fcdmft.gw.mol.gw_space_time) get_g0() (in module fcdmft.gw.mol.gw_ac) (in module fcdmft.gw.mol.ugw_ac) (in module fcdmft.rpa.mp2.pbc.kqsmp2) get_g0_k() (in module fcdmft.gw.pbc.krgw_ac) (in module fcdmft.gw.pbc.kugw_ac) get_g0_t() (in module fcdmft.gw.mol.gw_space_time) get_gf() (fcdmft.solver.ccgf.CCGF method) (fcdmft.solver.ccgf_mor.CCGF method) (fcdmft.solver.mpiccgf.CCGF method) (fcdmft.solver.mpiccgf_mor.CCGF method) (fcdmft.solver.mpiuccgf.UCCGF method) (fcdmft.solver.mpiuccgf_mor.UCCGF method) (fcdmft.solver.uccgf.UCCGF method) (in module fcdmft.dmft.dmft_solver) get_graphical_solution() (fcdmft.rpa.mp2.mol.mp2qp.MP2QP method) get_grids() (fcdmft.rpa.mol.rpa.RPA method) (fcdmft.rpa.mol.urpa.URPA method) (fcdmft.rpa.pbc.krpa.KRPA method) (fcdmft.rpa.pbc.kurpa.KURPA method) get_id_minus_pi() (in module fcdmft.utils.arraymath) get_idx_metal() (in module fcdmft.rpa.mol.rpa) (in module fcdmft.rpa.mol.urpa) get_imag_sigma_t() (in module fcdmft.gw.mol.gw_space_time) get_jk() (fcdmft.df.df.DF method) (fcdmft.df.df.DF4C method) get_kconserv_ria_efficient() (in module fcdmft.utils.kpts) get_l_sq_wghts_cos_tf_t_to_w() (in module fcdmft.gw.minimax.fourier_transform) get_l_sq_wghts_cos_tf_w_to_t() (in module fcdmft.gw.minimax.fourier_transform) get_l_sq_wghts_sin_tf_t_to_w() (in module fcdmft.gw.minimax.fourier_transform) get_l_sq_wghts_sin_tf_w_to_t() (in module fcdmft.gw.minimax.fourier_transform) get_Lpq_emb_gamma() (in module fcdmft.solver.rpa_solver) get_Lpq_emb_gamma_metal() (in module fcdmft.solver.rpa_solver) get_minimax_grid() (in module fcdmft.gw.mol.gw_space_time) get_mo_eri() (fcdmft.df.df.DF method) (fcdmft.df.df.DF4C method) get_mp2_sigma_derivative() (in module fcdmft.rpa.mp2.mol.mp2qp) get_naoaux() (fcdmft.df.df.DF method) get_nmo() (fcdmft.gw.mol.gw_ac.GWAC method) (fcdmft.gw.mol.ugw_ac.UGWAC method) (fcdmft.rpa.mol.rpa.RPA method) (fcdmft.rpa.mol.urpa.URPA method) (fcdmft.rpa.mp2.mol.mp2qp.MP2QP method) (fcdmft.rpa.mp2.mol.qsmp2.QSMP2 method) (fcdmft.rpa.mp2.pbc.kmp2qp.KMP2QP method) (fcdmft.rpa.mp2.pbc.kqsmp2.KQSMP2 method) (fcdmft.rpa.pbc.krpa.KRPA method) (fcdmft.rpa.pbc.krpa_slow.KRPA method) (fcdmft.rpa.pbc.kurpa.KURPA method) get_nocc() (fcdmft.gw.mol.gw_ac.GWAC method) (fcdmft.gw.mol.ugw_ac.UGWAC method) (fcdmft.rpa.mol.rpa.RPA method) (fcdmft.rpa.mol.urpa.URPA method) (fcdmft.rpa.mp2.mol.mp2qp.MP2QP method) (fcdmft.rpa.mp2.mol.qsmp2.QSMP2 method) (fcdmft.rpa.mp2.pbc.kmp2qp.KMP2QP method) (fcdmft.rpa.mp2.pbc.kqsmp2.KQSMP2 method) (fcdmft.rpa.pbc.krpa.KRPA method) (fcdmft.rpa.pbc.krpa_slow.KRPA method) (fcdmft.rpa.pbc.kurpa.KURPA method) get_oscillator_strength() (fcdmft.gw.mol.bse.BSE method) get_phase_wigner_seitz() (in module fcdmft.utils.interpolate) get_pi_inv() (in module fcdmft.utils.arraymath) get_pi_t() (in module fcdmft.gw.mol.gw_space_time) get_q_mesh() (fcdmft.rpa.pbc.krpa.KRPA method) (fcdmft.rpa.pbc.kurpa.KURPA method) get_qij() (in module fcdmft.gw.pbc.krgw_ac) (in module fcdmft.gw.pbc.kugw_ac) get_rho_response() (in module fcdmft.gw.mol.gw_ac) (in module fcdmft.gw.mol.ugw_ac) (in module fcdmft.gw.pbc.krgw_ac) (in module fcdmft.gw.pbc.kugw_ac) (in module fcdmft.rpa.pbc.krpa_slow) get_rho_response_head() (in module fcdmft.gw.pbc.krgw_ac) (in module fcdmft.gw.pbc.kugw_ac) get_rho_response_metal() (in module fcdmft.gw.mol.gw_ac) (in module fcdmft.gw.mol.ugw_ac) (in module fcdmft.gw.pbc.krgw_ac) (in module fcdmft.gw.pbc.kugw_ac) (in module fcdmft.rpa.mol.rpa) (in module fcdmft.rpa.pbc.krpa) (in module fcdmft.rpa.pbc.krpa_slow) get_rho_response_R() (in module fcdmft.gw.mol.gw_cd) (in module fcdmft.gw.mol.ugw_cd) get_rho_response_wing() (in module fcdmft.gw.pbc.krgw_ac) (in module fcdmft.gw.pbc.kugw_ac) get_rpa_ecorr() (in module fcdmft.rpa.mol.rpa) (in module fcdmft.rpa.mol.urpa) (in module fcdmft.rpa.pbc.krpa) (in module fcdmft.rpa.pbc.krpa_slow) (in module fcdmft.rpa.pbc.kurpa) get_rpa_ecorr_outcore() (in module fcdmft.rpa.mol.rpa) (in module fcdmft.rpa.pbc.krpa) (in module fcdmft.rpa.pbc.krpa_slow) (in module fcdmft.rpa.pbc.kurpa) get_rpa_ecorr_outcore_metal() (in module fcdmft.rpa.pbc.krpa) (in module fcdmft.rpa.pbc.krpa_slow) (in module fcdmft.rpa.pbc.kurpa) get_rpa_ecorr_w() (in module fcdmft.rpa.pbc.krpa) get_rpa_minimax_coeff() (in module fcdmft.gw.minimax.minimax_rpa) get_rpa_minimax_coeff_larger_grid() (in module fcdmft.gw.minimax.minimax_rpa) get_sigma() (in module fcdmft.dmft.dmft_solver) (in module fcdmft.gw.mol.gw_ac) (in module fcdmft.gw.mol.gw_exact) (in module fcdmft.gw.mol.ugw_ac) (in module fcdmft.gw.mol.ugw_exact) (in module fcdmft.gw.pbc.krgw_ac) (in module fcdmft.gw.pbc.kugw_ac)

get_sigma_derivative() (in module fcdmft.gw.mol.gw_exact) (in module fcdmft.gw.mol.ugw_exact) get_sigma_diag() (in module fcdmft.gw.mol.gw_cd) (in module fcdmft.gw.mol.ugw_cd) get_sigma_exchange() (fcdmft.gw.mol.gw_ac.GWAC method) (fcdmft.gw.pbc.gw_ac.GWAC method) get_sigma_mp2() (in module fcdmft.rpa.mp2.mol.mp2qp) (in module fcdmft.rpa.mp2.mol.qsmp2) (in module fcdmft.rpa.mp2.pbc.kmp2qp) (in module fcdmft.rpa.mp2.pbc.kqsmp2) get_sigma_mp2_metal() (in module fcdmft.rpa.mp2.pbc.kmp2qp) get_sigma_outcore() (in module fcdmft.gw.mol.gw_ac) (in module fcdmft.gw.mol.ugw_ac) get_sigmaR_diag() (in module fcdmft.gw.mol.gw_cd) (in module fcdmft.gw.mol.ugw_cd) get_time_minimax_grid() (in module fcdmft.gw.minimax.minimax_exp_gw) get_transition_density() (in module fcdmft.gw.mol.gw_exact) (in module fcdmft.gw.mol.ugw_exact) get_wc_w() (in module fcdmft.gw.mol.gw_space_time) get_wigner_seitz_supercell() (in module fcdmft.utils.interpolate) get_WmnI_diag() (in module fcdmft.gw.mol.gw_cd) (in module fcdmft.gw.mol.ugw_cd) get_workitems() (fcdmft.utils.worksteal.MPIWorkStealingScheduler method) GMRES (class in fcdmft.solver.gmres) greens_b_doubles_ea_alpha() (in module fcdmft.solver.mpiuccgf) (in module fcdmft.solver.mpiuccgf_mor) (in module fcdmft.solver.uccgf) greens_b_doubles_ea_beta() (in module fcdmft.solver.mpiuccgf) (in module fcdmft.solver.mpiuccgf_mor) (in module fcdmft.solver.uccgf) greens_b_doubles_ea_rhf() (in module fcdmft.solver.ccgf) (in module fcdmft.solver.ccgf_mor) (in module fcdmft.solver.mpiccgf) (in module fcdmft.solver.mpiccgf_mor) greens_b_doubles_ip_alpha() (in module fcdmft.solver.mpiuccgf) (in module fcdmft.solver.mpiuccgf_mor) (in module fcdmft.solver.uccgf) greens_b_doubles_ip_beta() (in module fcdmft.solver.mpiuccgf) (in module fcdmft.solver.mpiuccgf_mor) (in module fcdmft.solver.uccgf) greens_b_doubles_ip_rhf() (in module fcdmft.solver.ccgf) (in module fcdmft.solver.ccgf_mor) (in module fcdmft.solver.mpiccgf) (in module fcdmft.solver.mpiccgf_mor) greens_b_fullvector_ea_uhf() (in module fcdmft.solver.mpiuccgf) (in module fcdmft.solver.mpiuccgf_mor) (in module fcdmft.solver.uccgf) greens_b_fullvector_ip_uhf() (in module fcdmft.solver.mpiuccgf) (in module fcdmft.solver.mpiuccgf_mor) (in module fcdmft.solver.uccgf) greens_b_singles_ea_alpha() (in module fcdmft.solver.mpiuccgf) (in module fcdmft.solver.mpiuccgf_mor) (in module fcdmft.solver.uccgf) greens_b_singles_ea_beta() (in module fcdmft.solver.mpiuccgf) (in module fcdmft.solver.mpiuccgf_mor) (in module fcdmft.solver.uccgf) greens_b_singles_ea_rhf() (in module fcdmft.solver.ccgf) (in module fcdmft.solver.ccgf_mor) (in module fcdmft.solver.mpiccgf) (in module fcdmft.solver.mpiccgf_mor) greens_b_singles_ip_alpha() (in module fcdmft.solver.mpiuccgf) (in module fcdmft.solver.mpiuccgf_mor) (in module fcdmft.solver.uccgf) greens_b_singles_ip_beta() (in module fcdmft.solver.mpiuccgf) (in module fcdmft.solver.mpiuccgf_mor) (in module fcdmft.solver.uccgf) greens_b_singles_ip_rhf() (in module fcdmft.solver.ccgf) (in module fcdmft.solver.ccgf_mor) (in module fcdmft.solver.mpiccgf) (in module fcdmft.solver.mpiccgf_mor) greens_b_vector_ea_rhf() (in module fcdmft.solver.ccgf) (in module fcdmft.solver.ccgf_mor) (in module fcdmft.solver.mpiccgf) (in module fcdmft.solver.mpiccgf_mor) greens_b_vector_ea_uhf() (in module fcdmft.solver.mpiuccgf) (in module fcdmft.solver.mpiuccgf_mor) (in module fcdmft.solver.uccgf) greens_b_vector_ip_rhf() (in module fcdmft.solver.ccgf) (in module fcdmft.solver.ccgf_mor) (in module fcdmft.solver.mpiccgf) (in module fcdmft.solver.mpiccgf_mor) greens_b_vector_ip_uhf() (in module fcdmft.solver.mpiuccgf) (in module fcdmft.solver.mpiuccgf_mor) (in module fcdmft.solver.uccgf) greens_e_doubles_ea_alpha() (in module fcdmft.solver.mpiuccgf) (in module fcdmft.solver.mpiuccgf_mor) (in module fcdmft.solver.uccgf) greens_e_doubles_ea_beta() (in module fcdmft.solver.mpiuccgf) (in module fcdmft.solver.mpiuccgf_mor) (in module fcdmft.solver.uccgf) greens_e_doubles_ea_rhf() (in module fcdmft.solver.ccgf) (in module fcdmft.solver.ccgf_mor) (in module fcdmft.solver.mpiccgf) (in module fcdmft.solver.mpiccgf_mor) greens_e_doubles_ip_alpha() (in module fcdmft.solver.mpiuccgf) (in module fcdmft.solver.mpiuccgf_mor) (in module fcdmft.solver.uccgf) greens_e_doubles_ip_beta() (in module fcdmft.solver.mpiuccgf) (in module fcdmft.solver.mpiuccgf_mor) (in module fcdmft.solver.uccgf) greens_e_doubles_ip_rhf() (in module fcdmft.solver.ccgf) (in module fcdmft.solver.ccgf_mor) (in module fcdmft.solver.mpiccgf) (in module fcdmft.solver.mpiccgf_mor) greens_e_fullvector_ea_uhf() (in module fcdmft.solver.mpiuccgf) (in module fcdmft.solver.mpiuccgf_mor) (in module fcdmft.solver.uccgf) greens_e_fullvector_ip_uhf() (in module fcdmft.solver.mpiuccgf) (in module fcdmft.solver.mpiuccgf_mor) (in module fcdmft.solver.uccgf) greens_e_singles_ea_alpha() (in module fcdmft.solver.mpiuccgf) (in module fcdmft.solver.mpiuccgf_mor) (in module fcdmft.solver.uccgf) greens_e_singles_ea_beta() (in module fcdmft.solver.mpiuccgf) (in module fcdmft.solver.mpiuccgf_mor) (in module fcdmft.solver.uccgf) greens_e_singles_ea_rhf() (in module fcdmft.solver.ccgf) (in module fcdmft.solver.ccgf_mor) (in module fcdmft.solver.mpiccgf) (in module fcdmft.solver.mpiccgf_mor) greens_e_singles_ip_alpha() (in module fcdmft.solver.mpiuccgf) (in module fcdmft.solver.mpiuccgf_mor) (in module fcdmft.solver.uccgf) greens_e_singles_ip_beta() (in module fcdmft.solver.mpiuccgf) (in module fcdmft.solver.mpiuccgf_mor) (in module fcdmft.solver.uccgf) greens_e_singles_ip_rhf() (in module fcdmft.solver.ccgf) (in module fcdmft.solver.ccgf_mor) (in module fcdmft.solver.mpiccgf) (in module fcdmft.solver.mpiccgf_mor) greens_e_vector_ea_rhf() (in module fcdmft.solver.ccgf) (in module fcdmft.solver.ccgf_mor) (in module fcdmft.solver.mpiccgf) (in module fcdmft.solver.mpiccgf_mor) greens_e_vector_ea_uhf() (in module fcdmft.solver.mpiuccgf) (in module fcdmft.solver.mpiuccgf_mor) (in module fcdmft.solver.uccgf) greens_e_vector_ip_rhf() (in module fcdmft.solver.ccgf) (in module fcdmft.solver.ccgf_mor) (in module fcdmft.solver.mpiccgf) (in module fcdmft.solver.mpiccgf_mor) greens_e_vector_ip_uhf() (in module fcdmft.solver.mpiuccgf) (in module fcdmft.solver.mpiuccgf_mor) (in module fcdmft.solver.uccgf) greens_func_multiply() (in module fcdmft.solver.ccgf) (in module fcdmft.solver.ccgf_mor) (in module fcdmft.solver.mpiccgf) (in module fcdmft.solver.mpiccgf_mor) (in module fcdmft.solver.mpiuccgf) (in module fcdmft.solver.mpiuccgf_mor) (in module fcdmft.solver.uccgf) greens_func_multiply_ea() (in module fcdmft.solver.fcigf) (in module fcdmft.solver.mpifcigf) greens_func_multiply_ea_mor() (in module fcdmft.solver.fcigf) (in module fcdmft.solver.mpifcigf) greens_func_multiply_ip() (in module fcdmft.solver.fcigf) (in module fcdmft.solver.mpifcigf) greens_func_multiply_ip_mor() (in module fcdmft.solver.fcigf) (in module fcdmft.solver.mpifcigf) greens_func_multiply_mor() (in module fcdmft.solver.ccgf_mor) (in module fcdmft.solver.mpiccgf_mor) (in module fcdmft.solver.mpiuccgf_mor) gw_gf() (in module fcdmft.dmft.dmft_solver) gw_rdm() (in module fcdmft.dmft.dmft_solver) GWAC (class in fcdmft.gw.mol.gw_ac) (class in fcdmft.gw.pbc.gw_ac) GWCD (class in fcdmft.gw.mol.gw_cd) GWExact (class in fcdmft.gw.mol.gw_exact) GWSpaceTime (class in fcdmft.gw.mol.gw_space_time)

I

ijloop() (fcdmft.utils.cholesky.AOPairs method) init_aopairs() (fcdmft.utils.cholesky.AOPairs method) initialize_df() (fcdmft.gw.mol.gw_ac.GWAC method) (fcdmft.gw.pbc.gw_ac.GWAC method) (fcdmft.rpa.mol.rpa.RPA method) initialize_workitems() (fcdmft.utils.worksteal.MPIWorkStealingScheduler method) interpolate_hf_diff() (in module fcdmft.utils.interpolate) interpolate_mf() (in module fcdmft.utils.interpolate) interpolate_selfenergy() (in module fcdmft.utils.interpolate) ip_shape() (in module fcdmft.solver.ccgf) (in module fcdmft.solver.ccgf_mor) (in module fcdmft.solver.mpiccgf) (in module fcdmft.solver.mpiccgf_mor) ipccsd_ao() (fcdmft.solver.ccgf.CCGF method) (fcdmft.solver.ccgf_mor.CCGF method) (fcdmft.solver.mpiccgf.CCGF method) (fcdmft.solver.mpiccgf_mor.CCGF method) (fcdmft.solver.mpiuccgf.UCCGF method) (fcdmft.solver.mpiuccgf_mor.UCCGF method) (fcdmft.solver.uccgf.UCCGF method)

ipccsd_mo() (fcdmft.solver.ccgf.CCGF method) (fcdmft.solver.ccgf_mor.CCGF method) (fcdmft.solver.mpiccgf.CCGF method) (fcdmft.solver.mpiccgf_mor.CCGF method) (fcdmft.solver.mpiuccgf.UCCGF method) (fcdmft.solver.mpiuccgf_mor.UCCGF method) (fcdmft.solver.uccgf.UCCGF method) ipfci_mo() (fcdmft.solver.fcigf.FCIGF method) (fcdmft.solver.mpifcigf.FCIGF method) ipfci_mo_mor() (fcdmft.solver.mpifcigf.FCIGF method) ipfci_mo_slow() (fcdmft.solver.fcigf.FCIGF method)

K

kernel() (fcdmft.df.df.DF method) (fcdmft.gw.mol.bse.BSE method) (fcdmft.gw.mol.evgw.EVGW method) (fcdmft.gw.mol.evgw_exact.EVGWExact method) (fcdmft.gw.mol.gw_ac.GWAC method) (fcdmft.gw.mol.gw_cd.GWCD method) (fcdmft.gw.mol.gw_exact.GWExact method) (fcdmft.gw.mol.gw_space_time.GWSpaceTime method) (fcdmft.gw.mol.qsgw.QSGW method) (fcdmft.gw.mol.qsgw_exact.QSGWExact method) (fcdmft.gw.mol.scgw.SCGW method) (fcdmft.gw.mol.uevgw.UEVGW method) (fcdmft.gw.mol.uevgw_exact.UEVGWExact method) (fcdmft.gw.mol.ugw_ac.UGWAC method) (fcdmft.gw.mol.ugw_cd.UGWCD method) (fcdmft.gw.mol.ugw_exact.UGWExact method) (fcdmft.gw.mol.uqsgw.UQSGW method) (fcdmft.gw.mol.uqsgw_exact.UQSGWExact method) (fcdmft.gw.pbc.krevgw.KREVGW method) (fcdmft.gw.pbc.krgw_ac.KRGWAC method) (fcdmft.gw.pbc.krqsgw.KRQSGW method) (fcdmft.gw.pbc.kuevgw.KUEVGW method) (fcdmft.gw.pbc.kugw_ac.KUGWAC method) (fcdmft.gw.pbc.kuqsgw.KUQSGW method) (fcdmft.rpa.mol.rpa.RPA method) (fcdmft.rpa.mol.urpa.URPA method) (fcdmft.rpa.mp2.mol.mp2qp.MP2QP method) (fcdmft.rpa.mp2.mol.qsmp2.QSMP2 method) (fcdmft.rpa.mp2.pbc.kmp2qp.KMP2QP method) (fcdmft.rpa.mp2.pbc.kqsmp2.KQSMP2 method) (fcdmft.rpa.pbc.krpa.KRPA method) (fcdmft.rpa.pbc.krpa_slow.KRPA method) (fcdmft.rpa.pbc.kurpa.KURPA method) (fcdmft.utils.cholesky.cholesky method) (in module fcdmft.gw.mol.evgw) (in module fcdmft.gw.mol.evgw_exact) (in module fcdmft.gw.mol.gw_ac) (in module fcdmft.gw.mol.gw_cd) (in module fcdmft.gw.mol.gw_exact) (in module fcdmft.gw.mol.gw_space_time) (in module fcdmft.gw.mol.qsgw) (in module fcdmft.gw.mol.qsgw_exact) (in module fcdmft.gw.mol.scgw) (in module fcdmft.gw.mol.uevgw) (in module fcdmft.gw.mol.uevgw_exact) (in module fcdmft.gw.mol.ugw_ac) (in module fcdmft.gw.mol.ugw_cd) (in module fcdmft.gw.mol.ugw_exact) (in module fcdmft.gw.mol.uqsgw) (in module fcdmft.gw.mol.uqsgw_exact) (in module fcdmft.gw.pbc.krevgw) (in module fcdmft.gw.pbc.krgw_ac) (in module fcdmft.gw.pbc.krqsgw) (in module fcdmft.gw.pbc.kuevgw) (in module fcdmft.gw.pbc.kugw_ac) (in module fcdmft.gw.pbc.kuqsgw) (in module fcdmft.rpa.mol.rpa) (in module fcdmft.rpa.mol.urpa) (in module fcdmft.rpa.mp2.mol.mp2qp) (in module fcdmft.rpa.mp2.mol.qsmp2) (in module fcdmft.rpa.mp2.pbc.kmp2qp) (in module fcdmft.rpa.mp2.pbc.kqsmp2) (in module fcdmft.rpa.pbc.krpa) (in module fcdmft.rpa.pbc.krpa_slow) (in module fcdmft.rpa.pbc.kurpa)

KMP2QP (class in fcdmft.rpa.mp2.pbc.kmp2qp) KQSMP2 (class in fcdmft.rpa.mp2.pbc.kqsmp2) KREVGW (class in fcdmft.gw.pbc.krevgw) KRGWAC (class in fcdmft.gw.pbc.krgw_ac) KRPA (class in fcdmft.rpa.pbc.krpa) (class in fcdmft.rpa.pbc.krpa_slow) KRQSGW (class in fcdmft.gw.pbc.krqsgw) KUEVGW (class in fcdmft.gw.pbc.kuevgw) KUGWAC (class in fcdmft.gw.pbc.kugw_ac) KUQSGW (class in fcdmft.gw.pbc.kuqsgw) KURPA (class in fcdmft.rpa.pbc.kurpa)

L

lanczos_estimate_spectrum() (in module fcdmft.gw.mol.bse) libfci (in module fcdmft.solver.mpifcigf) load (class in fcdmft.df.addons) load_ac() (in module fcdmft.ac) loop() (fcdmft.df.df.DF method) (fcdmft.df.df.DF4C method)

loop_ao2mo() (fcdmft.gw.mol.gw_ac.GWAC method) (fcdmft.gw.mol.ugw_ac.UGWAC method) (fcdmft.gw.pbc.gw_ac.GWAC method) (fcdmft.rpa.mol.rpa.RPA method) (fcdmft.rpa.pbc.rpa.RPA method)

M

main() (in module fcdmft.solver.gmres) make_auxbasis() (in module fcdmft.df.addons) make_auxmol() (in module fcdmft.df.addons) make_cas_hf() (in module fcdmft.solver.casno) make_casno_cc() (in module fcdmft.solver.casno) make_casno_cisd() (in module fcdmft.solver.casno) make_casno_gw() (in module fcdmft.solver.casno) make_casno_mp() (in module fcdmft.solver.casno) make_casno_ucc() (in module fcdmft.solver.casno) make_diag_dos() (fcdmft.gw.mol.gw_exact.GWExact method) (fcdmft.gw.mol.ugw_exact.UGWExact method) (in module fcdmft.gw.mol.gw_exact) (in module fcdmft.gw.mol.ugw_exact) make_eri_ao_aopair() (fcdmft.utils.cholesky.AOPairs method) make_eri_ao_aopair_slow() (fcdmft.utils.cholesky.AOPairs method) make_eri_offdiag() (fcdmft.utils.cholesky.AOPairs method) make_eri_offdiag_slow() (fcdmft.utils.cholesky.AOPairs method) make_gf() (fcdmft.gw.mol.evgw.EVGW method) (fcdmft.gw.mol.gw_ac.GWAC method) (fcdmft.gw.mol.gw_exact.GWExact method) (fcdmft.gw.mol.qsgw.QSGW method) (fcdmft.gw.mol.qsgw_exact.QSGWExact method) (fcdmft.gw.mol.uevgw.UEVGW method) (fcdmft.gw.mol.ugw_ac.UGWAC method) (fcdmft.gw.mol.ugw_exact.UGWExact method) (fcdmft.gw.mol.uqsgw.UQSGW method) (fcdmft.gw.mol.uqsgw_exact.UQSGWExact method) (fcdmft.gw.pbc.krgw_ac.KRGWAC method) (fcdmft.gw.pbc.krqsgw.KRQSGW method) (fcdmft.gw.pbc.kugw_ac.KUGWAC method) (fcdmft.gw.pbc.kuqsgw.KUQSGW method) (in module fcdmft.gw.mol.gw_exact) (in module fcdmft.gw.mol.ugw_exact) (in module fcdmft.gw.pbc.krgw_ac) (in module fcdmft.gw.pbc.krqsgw) (in module fcdmft.gw.pbc.kugw_ac) (in module fcdmft.gw.pbc.kuqsgw) make_rdm1() (fcdmft.gw.mol.gw_ac.GWAC method) (fcdmft.gw.mol.gw_exact.GWExact method) (fcdmft.gw.mol.gw_space_time.GWSpaceTime method) (fcdmft.gw.mol.qsgw.QSGW method) (fcdmft.gw.mol.qsgw_exact.QSGWExact method) (fcdmft.gw.mol.scgw.SCGW method) (fcdmft.gw.mol.ugw_ac.UGWAC method) (fcdmft.gw.mol.ugw_exact.UGWExact method) (fcdmft.gw.mol.uqsgw.UQSGW method) (fcdmft.gw.mol.uqsgw_exact.UQSGWExact method) (fcdmft.gw.pbc.krgw_ac.KRGWAC method) (fcdmft.gw.pbc.krqsgw.KRQSGW method) (fcdmft.gw.pbc.kugw_ac.KUGWAC method) (fcdmft.gw.pbc.kuqsgw.KUQSGW method) make_rdm1_dyson() (in module fcdmft.gw.pbc.krqsgw) (in module fcdmft.gw.pbc.kuqsgw) make_rdm1_linear() (in module fcdmft.gw.pbc.krgw_ac) (in module fcdmft.gw.pbc.kugw_ac) mat_loop_2d() (in module fcdmft.utils.cholesky) mf_gf() (in module fcdmft.dmft.dmft_solver) mf_gf_withfrz() (in module fcdmft.dmft.dmft_solver) mf_kernel() (in module fcdmft.dmft.dmft_solver) mkslice() (in module fcdmft.utils.arraymath) module fcdmft fcdmft.ac fcdmft.ac.grids fcdmft.ac.interface fcdmft.ac.pade fcdmft.ac.two_pole fcdmft.df fcdmft.df.addons fcdmft.df.df fcdmft.df.direct fcdmft.df.incore fcdmft.df.outcore fcdmft.dmft fcdmft.dmft.dmft_solver fcdmft.gw fcdmft.gw.minimax fcdmft.gw.minimax.fourier_transform fcdmft.gw.minimax.minimax_exp_gw fcdmft.gw.minimax.minimax_rpa fcdmft.gw.mol fcdmft.gw.mol.bse fcdmft.gw.mol.evgw fcdmft.gw.mol.evgw_exact fcdmft.gw.mol.gw_ac fcdmft.gw.mol.gw_cd fcdmft.gw.mol.gw_exact fcdmft.gw.mol.gw_gf fcdmft.gw.mol.gw_space_time fcdmft.gw.mol.qsgw fcdmft.gw.mol.qsgw_exact fcdmft.gw.mol.scgw fcdmft.gw.mol.uevgw fcdmft.gw.mol.uevgw_exact fcdmft.gw.mol.ugw_ac fcdmft.gw.mol.ugw_cd fcdmft.gw.mol.ugw_exact fcdmft.gw.mol.ugw_gf fcdmft.gw.mol.uqsgw fcdmft.gw.mol.uqsgw_exact fcdmft.gw.pbc fcdmft.gw.pbc.gw_ac fcdmft.gw.pbc.gw_gf fcdmft.gw.pbc.krevgw fcdmft.gw.pbc.krgw_ac fcdmft.gw.pbc.krgw_gf fcdmft.gw.pbc.krqsgw fcdmft.gw.pbc.kuevgw fcdmft.gw.pbc.kugw_ac fcdmft.gw.pbc.kugw_gf fcdmft.gw.pbc.kuqsgw fcdmft.rpa fcdmft.rpa.mol fcdmft.rpa.mol.rpa fcdmft.rpa.mol.urpa fcdmft.rpa.mp2 fcdmft.rpa.mp2.mol fcdmft.rpa.mp2.mol.mp2qp fcdmft.rpa.mp2.mol.qsmp2 fcdmft.rpa.mp2.pbc fcdmft.rpa.mp2.pbc.kmp2qp fcdmft.rpa.mp2.pbc.kqsmp2 fcdmft.rpa.pbc fcdmft.rpa.pbc.krpa fcdmft.rpa.pbc.krpa_slow fcdmft.rpa.pbc.kurpa fcdmft.rpa.pbc.rpa fcdmft.rpa.pbc.urpa fcdmft.solver fcdmft.solver.casno fcdmft.solver.ccgf fcdmft.solver.ccgf_mor fcdmft.solver.fcigf fcdmft.solver.gmres fcdmft.solver.mpiccgf fcdmft.solver.mpiccgf_mor fcdmft.solver.mpifcigf fcdmft.solver.mpiuccgf fcdmft.solver.mpiuccgf_mor fcdmft.solver.rpa_solver fcdmft.solver.ucc_eri fcdmft.solver.uccgf fcdmft.utils fcdmft.utils.arraymath fcdmft.utils.cholesky fcdmft.utils.interpolate fcdmft.utils.kpts fcdmft.utils.memory_estimate fcdmft.utils.worksteal fcdmft.utils.write

MP2QP (class in fcdmft.rpa.mp2.mol.mp2qp) MPIWorkStealingScheduler (class in fcdmft.utils.worksteal)

N

nmo (fcdmft.gw.mol.gw_ac.GWAC property) (fcdmft.gw.pbc.krgw_ac.KRGWAC property) (fcdmft.gw.pbc.kugw_ac.KUGWAC property) (fcdmft.gw.pbc.kuqsgw.KUQSGW property) (fcdmft.rpa.mol.rpa.RPA property) (fcdmft.rpa.mp2.mol.mp2qp.MP2QP property) (fcdmft.rpa.mp2.mol.qsmp2.QSMP2 property) (fcdmft.rpa.mp2.pbc.kmp2qp.KMP2QP property) (fcdmft.rpa.mp2.pbc.kqsmp2.KQSMP2 property) (fcdmft.rpa.pbc.krpa.KRPA property) (fcdmft.rpa.pbc.krpa_slow.KRPA property) (fcdmft.rpa.pbc.kurpa.KURPA property)

nocc (fcdmft.gw.mol.gw_ac.GWAC property) (fcdmft.gw.pbc.krgw_ac.KRGWAC property) (fcdmft.gw.pbc.kugw_ac.KUGWAC property) (fcdmft.gw.pbc.kuqsgw.KUQSGW property) (fcdmft.rpa.mol.rpa.RPA property) (fcdmft.rpa.mp2.mol.mp2qp.MP2QP property) (fcdmft.rpa.mp2.mol.qsmp2.QSMP2 property) (fcdmft.rpa.mp2.pbc.kmp2qp.KMP2QP property) (fcdmft.rpa.mp2.pbc.kqsmp2.KQSMP2 property) (fcdmft.rpa.pbc.krpa.KRPA property) (fcdmft.rpa.pbc.krpa_slow.KRPA property) (fcdmft.rpa.pbc.kurpa.KURPA property)

O

omega_fit (fcdmft.ac.pade.PadeAC property)

P

pade_thiele() (in module fcdmft.ac.pade) pade_thiele_ndarray() (in module fcdmft.ac.pade) PadeAC (class in fcdmft.ac.pade)

pprpa_correlation_energy() (in module fcdmft.solver.rpa_solver) prange() (fcdmft.df.df.DF method) print_eri_diag() (fcdmft.utils.cholesky.AOPairs method)

Q

qs_sigmaR_mode_a() (in module fcdmft.gw.mol.qsgw) qs_sigmaR_mode_b() (in module fcdmft.gw.mol.qsgw)

QSGW (class in fcdmft.gw.mol.qsgw) QSGWExact (class in fcdmft.gw.mol.qsgw_exact) QSMP2 (class in fcdmft.rpa.mp2.mol.qsmp2)

R

range_coulomb() (fcdmft.df.df.DF method) reorder_aopairs() (fcdmft.utils.cholesky.AOPairs method) rescale_grid() (in module fcdmft.gw.minimax.minimax_exp_gw) (in module fcdmft.gw.minimax.minimax_rpa) reset() (fcdmft.df.df.DF method) rho_accum_inner() (in module fcdmft.rpa.pbc.krpa)

RPA (class in fcdmft.rpa.mol.rpa) (class in fcdmft.rpa.pbc.rpa) rpa_correlation_energy() (in module fcdmft.solver.rpa_solver) rpa_correlation_energy_metal() (in module fcdmft.solver.rpa_solver) run_diis() (fcdmft.rpa.mp2.mol.qsmp2.QSMP2 method) (fcdmft.rpa.mp2.pbc.kqsmp2.KQSMP2 method)

S

save() (fcdmft.ac.interface.AC_Method method) scdm() (in module fcdmft.solver.casno) SCGW (class in fcdmft.gw.mol.scgw) set_frozen_orbs() (fcdmft.gw.pbc.krgw_ac.KRGWAC method) (fcdmft.gw.pbc.krqsgw.KRQSGW method) (fcdmft.gw.pbc.kugw_ac.KUGWAC method) (fcdmft.gw.pbc.kuqsgw.KUQSGW method) (in module fcdmft.gw.mol.gw_ac) (in module fcdmft.gw.mol.ugw_ac) (in module fcdmft.gw.pbc.krgw_ac) (in module fcdmft.gw.pbc.kugw_ac)

setA() (in module fcdmft.solver.gmres) setup_evaluation_grid() (fcdmft.gw.mol.gw_ac.GWAC method) shift_sigma() (fcdmft.gw.mol.gw_space_time.GWSpaceTime method) solve() (fcdmft.solver.gmres.GMRES method) sorted_aopairs() (fcdmft.utils.cholesky.AOPairs method) sorted_ijloop() (fcdmft.utils.cholesky.AOPairs method) step1() (fcdmft.utils.cholesky.cholesky method) step2() (fcdmft.utils.cholesky.cholesky method)

T

thiele() (in module fcdmft.ac.pade) thiele_ndarray() (in module fcdmft.ac.pade) to_gpu() (fcdmft.df.df.DF method)

two_pole() (in module fcdmft.ac.two_pole) two_pole_fit() (in module fcdmft.ac.two_pole) TwoPoleAC (class in fcdmft.ac.two_pole)

U

ucc_gf() (in module fcdmft.dmft.dmft_solver) ucc_rdm() (in module fcdmft.dmft.dmft_solver) UCCGF (class in fcdmft.solver.mpiuccgf) (class in fcdmft.solver.mpiuccgf_mor) (class in fcdmft.solver.uccgf) udmrg_gf() (in module fcdmft.dmft.dmft_solver) udmrg_rdm() (in module fcdmft.dmft.dmft_solver) UEVGW (class in fcdmft.gw.mol.uevgw)

UEVGWExact (class in fcdmft.gw.mol.uevgw_exact) UGWAC (class in fcdmft.gw.mol.ugw_ac) UGWCD (class in fcdmft.gw.mol.ugw_cd) UGWExact (class in fcdmft.gw.mol.ugw_exact) UQSGW (class in fcdmft.gw.mol.uqsgw) UQSGWExact (class in fcdmft.gw.mol.uqsgw_exact) URPA (class in fcdmft.rpa.mol.urpa) (class in fcdmft.rpa.pbc.urpa)

W

write_dos() (in module fcdmft.utils.write) write_gf_to_dos() (in module fcdmft.utils.write)

write_sigma() (in module fcdmft.utils.write) write_sigma_elem() (in module fcdmft.utils.write)