Type | Intent | Optional | Attributes | Name | ||
---|---|---|---|---|---|---|

integer, | intent(in) | :: | nI(nel) |
|||

integer, | intent(out) | :: | elecs(2) |
|||

integer, | intent(out) | :: | src(2) |
|||

integer, | intent(out) | :: | sym_prod |
|||

integer, | intent(out) | :: | ispn |
|||

integer, | intent(out) | :: | sum_ml |
|||

real(kind=dp), | intent(out) | :: | pgen |

```
subroutine pick_oppspin_elecs(nI, elecs, src, sym_prod, ispn, sum_ml, pgen)
integer, intent(in) :: nI(nel)
integer, intent(out) :: elecs(2), src(2), sym_prod, ispn, sum_ml
real(dp), intent(out) :: pgen
real(dp) :: ntot, r
integer :: al_req, be_req, al_num(2), be_num(2), elecs_found, i, idx
integer :: al_count, be_count
! Pick elentrons with opposite spins
iSpn = 2
al_req = 1
be_req = 1
pgen = 1.0_dp / real(AB_elec_pairs, dp)
r = genrand_real2_dSFMT()
r = r * real(AB_elec_pairs, dp)
idx = floor(r)
al_num(1) = 1 + mod(idx, nOccAlpha)
be_num(1) = 1 + floor(real(idx, dp) / real(nOccAlpha, dp))
! Loop through the determiant, and select the relevant orbitals from
! it.
! This is not as clean as the implementation in PickElecPair, which
! doesn't consider the spins. Would work MUCH better in an
! environment where the alpha/beta spins were stored seperately...
al_count = 0
be_count = 0
elecs_found = 0
do i = 1, nel
if (is_alpha(nI(i))) then
al_count = al_count + 1
if (al_req > 0) then
if (al_count == al_num(al_req)) then
elecs_found = elecs_found + 1
elecs(elecs_found) = i
al_req = al_req - 1
end if
end if
else
be_count = be_count + 1
if (be_req > 0) then
if (be_count == be_num(be_req)) then
elecs_found = elecs_found + 1
elecs(elecs_found) = i
be_req = be_req - 1
end if
end if
end if
if (al_req == 0 .and. be_req == 0) exit
end do
! Generate the orbitals that are being considered
src = nI(elecs)
! The Ml value is obtained from the orbitals
sum_ml = sum(G1(src)%Ml)
! Get the symmetries
sym_prod = RandExcitSymLabelProd(SpinOrbSymLabel(src(1)), &
SpinOrbSymLabel(src(2)))
end subroutine pick_oppspin_elecs
```

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