Type | Intent | Optional | Attributes | Name | ||
---|---|---|---|---|---|---|
integer, | intent(in) | :: | i | |||
integer, | intent(in) | :: | a |
function pp_weight_function(i, a) result(w)
! Given an excitation, return the power-pitzer weights
! Can be tweaked to handle 3-body excitations
! Input: i - selected electron
! a - possible orbital to excite to
! Output: w - approximate weight of this excitation
implicit none
integer, intent(in) :: i, a
real(dp) :: w
w = sqrt(abs(get_umat_el(gtID(i), gtID(a), gtID(a), gtID(i))))
end function pp_weight_function