Type | Intent | Optional | Attributes | Name | ||
---|---|---|---|---|---|---|
integer, | intent(out) | :: | string(n_elec) | |||
integer, | intent(in) | :: | n_elec |
pure subroutine generate_first_subspace_string(string, n_elec)
! Generate the first string (lowest orbitals all occupied) in a RAS subspace.
! For RAS2 and RAS3 the orbital numbers should have been shifted so that the
! first orbital in these subspaces is 1, *not* the actual orbital number.
integer, intent(in) :: n_elec
integer, intent(out) :: string(n_elec)
integer :: i
do i = 1, n_elec
string(i) = i
end do
end subroutine generate_first_subspace_string