! Molecular Orbital PACkage (MOPAC)
! Copyright (C) 2021, Virginia Polytechnic Institute and State University
!
! MOPAC is free software: you can redistribute it and/or modify it under
! the terms of the GNU Lesser General Public License as published by
! the Free Software Foundation, either version 3 of the License, or
! (at your option) any later version.
!
! MOPAC is distributed in the hope that it will be useful,
! but WITHOUT ANY WARRANTY; without even the implied warranty of
! MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
! GNU Lesser General Public License for more details.
!
! You should have received a copy of the GNU Lesser General Public License
! along with this program.  If not, see <https://www.gnu.org/licenses/>.
 
subroutine filusp (nat, nfirst, nlast, uspd)
    use molkst_C, only :  norbs, numat
    use parameters_C, only : uss, upp, udd
  !
  !.. Implicit Declarations ..
    implicit none
  !
  !.. Formal Arguments ..
    integer, dimension (numat), intent (in) :: nat, nfirst, nlast
    double precision, dimension (norbs), intent (out) :: uspd
  !
  !.. Local Scalars ..
    integer :: i, ia, ib, j, ni_loc
  !
  ! ... Executable Statements ...
  !
    do i = 1, numat
      ni_loc = nat(i)
      ia = nfirst(i)
      ib = nlast(i)
      if (ia <= ib) then
      !
      !  Atom has an "s" orbital.
      !
        uspd(ia) = uss(ni_loc)
        if (ia /= ib) then
        !
        !  Atom has a "p" shell.
        !
          do j = ia + 1, ia + 3
            uspd(j) = upp(ni_loc)
          end do
        !
        !  Set the "d" shell, if present.
        !
          do j = ia + 4, ib
            uspd(j) = udd(ni_loc)
          end do
        end if
      end if
    end do
end subroutine filusp
