calc_orbital_pgen_contr_end Subroutine

private subroutine calc_orbital_pgen_contr_end(this, nI, ilut, csf_i, occ_orbs, orb_a, orb_pgen)

Type Bound

PCHB_t

Arguments

Type IntentOptional Attributes Name
class(PCHB_t), intent(in) :: this
integer, intent(in) :: nI(nEl)
integer(kind=n_int), intent(in) :: ilut(0:GugaBits%len_tot)
type(CSF_Info_t), intent(in) :: csf_i
integer, intent(in) :: occ_orbs(2)
integer, intent(in) :: orb_a
real(kind=dp), intent(out) :: orb_pgen