function calc_pgen_tJ_model(ilutI, ex, ic) result(pgen)
integer(n_int), intent(in) :: ilutI(0:NIfTot)
integer, intent(in) :: ex(2, 2), ic
real(dp) :: pgen
#ifdef DEBUG_
character(*), parameter :: this_routine = "calc_pgen_tJ_model"
#endif
integer :: src(2), tgt(2)
real(dp) :: p_elec, p_orb, cum_sum, cpt_1, cpt_2
real(dp), allocatable :: cum_arr(:)
integer, allocatable :: tmp_list(:)
ASSERT(ic >= 0)
if (ic == 0 .or. ic > 2) then
pgen = 0.0_dp
return
end if
src = get_src(ex)
tgt = get_tgt(ex)
ASSERT(associated(lat))
p_elec = 1.0_dp / real(nel, dp)
if (ic == 1) then
! here it is easy..
ASSERT(is_beta(src(1)) .eqv. is_beta(tgt(1)))
ASSERT(any(tgt(1) == lat%get_spinorb_neighbors(src(1))))
ASSERT(IsOcc(ilutI, src(1)))
ASSERT(IsNotOcc(ilutI, tgt(1)))
call create_cum_list_tJ_model(ilutI, src(1), lat%get_neighbors(gtid(src(1))), &
cum_arr, cum_sum, tmp_list, tgt(1), p_orb)
else if (ic == 2) then
! here we have to find the correct orbital..
! and i just realised that we maybe have to take into account
! of having picked the orbitals in a different order..
! for HPHF reasons i have to return here if the orbitals are
! not "correct"
if (same_spin(src(1), src(2)) .or. same_spin(tgt(1), tgt(2))) then
pgen = 0.0_dp
return
end if
if (.not. (is_in_pair(src(1), tgt(1)) .or. is_in_pair(src(1), tgt(2)))) then
pgen = 0.0_dp
return
end if
if (.not. (is_in_pair(src(2), tgt(1)) .or. is_in_pair(src(2), tgt(2)))) then
pgen = 0.0_dp
return
end if
call create_cum_list_tJ_model(ilutI, src(1), lat%get_neighbors(gtid(src(1))), &
cum_arr, cum_sum, tmp_list, src(2), cpt_1)
call create_cum_list_tJ_model(ilutI, src(2), lat%get_neighbors(gtid(src(2))), &
cum_arr, cum_sum, tmp_list, src(1), cpt_2)
p_orb = cpt_1 + cpt_2
#ifdef DEBUG_
if (is_beta(src(1)) .eqv. is_beta(tgt(1))) then
! then those to orbitls were chosen
ASSERT(is_beta(src(2)) .eqv. is_beta(tgt(2)))
else if (is_beta(src(1)) .eqv. is_beta(tgt(2))) then
ASSERT(is_beta(src(2)) .eqv. is_beta(tgt(1)))
end if
else
! something went wrong
call stop_all(this_routine, "something went wrong!")
#endif
end if
pgen = p_elec * p_orb
end function calc_pgen_tJ_model