Type | Intent | Optional | Attributes | Name | ||
---|---|---|---|---|---|---|
integer, | intent(in) | :: | i | |||
integer, | intent(in) | :: | j |
function linear_elec_ind(i, j) result(ind)
integer, intent(in) :: i, j
integer :: ind
! for a general orbital indexing i want to get a linear index
! for the electron pairs in the closed shell reference
! i could set up a matrix (nbasis, nbasis) for these pairs
! or i could make a search in the reference det at which position
! (i) and (j) are and use this then to encode the infomation..
! because i am lazy i think i will setup the matrix!
ind = elec_ind_mat(i, j)
end function linear_elec_ind