subroutine init_tau_search_conventional()
! Don't overwrite stats that were read from popsfile
if (tau_start_val /= possible_tau_start%from_popsfile) then
tau_search_stats = TauSearchConventionalStats_t()
end if
! Are we considering parallel-spin bias in the doubles?
! Do this logic here, so that if we add opposite spin bias to more
! excitation generators, then there is only one place that this logic
! needs to be updated!
if (tGen_4ind_weighted .or. tGen_4ind_2) then
consider_par_bias = .true.
else if (tGen_4ind_reverse) then
consider_par_bias = .true.
else if (t_k_space_hubbard .and. t_trans_corr_2body) then
! for the 2-body transcorrelated k-space hubbard we also have
! possible parallel excitations now. and to make the tau-search
! working we need to set this to true ofc:
consider_par_bias = .true.
else if (t_fci_pchb_excitgen .and. .not. tGUGA) then
block
type(FCI_PCHB_options_t) :: FCI_PCHB_options
FCI_PCHB_options = decide_on_PCHB_options(FCI_PCHB_user_input, nBasis, nEl, tUHF)
consider_par_bias = FCI_PCHB_options%doubles%particle_selection == FCI_PCHB_options_vals%doubles%particle_selection%UNIF_UNIF
end block
else if (tGAS) then
if (GAS_exc_gen /= possible_GAS_exc_gen%PCHB) then
consider_par_bias = .true.
else
block
use gasci_pchb_main, only: GAS_PCHB_user_input, decide_on_PCHB_options, GAS_PCHB_options_vals, GAS_PCHB_options_t
type(GAS_PCHB_options_t) :: GAS_PCHB_options
GAS_PCHB_options = decide_on_PCHB_options(GAS_PCHB_user_input, nBasis, nEl, tUHF)
consider_par_bias = GAS_PCHB_options%doubles%particle_selection == GAS_PCHB_options_vals%doubles%particle_selection%UNIF_UNIF
end block
end if
else
consider_par_bias = .false.
end if
! If there are only a few electrons in the system, then this has
! impacts for the choices that can be made.
if (nOccAlpha == 0 .or. nOccBeta == 0) then
consider_par_bias = .false.
pParallel = 1.0_dp
tau_search_stats%enough_opp = .true.
end if
if (nOccAlpha == 1 .and. nOccBeta == 1) then
consider_par_bias = .false.
pParallel = 0.0_dp
tau_search_stats%enough_par = .true.
end if
if (t_mixed_hubbard .or. t_olle_hubbard) then
pParallel = 0.0_dp
end if
t_consider_par_bias = consider_par_bias
end subroutine init_tau_search_conventional