get_unoccupied Subroutine

private pure subroutine get_unoccupied(this, ilutI, ilut_unoccupied, unoccupied)

Return a bitmask and enumeration of the unoccupied spin orbitals.

Type Bound

GAS_PCHB_DoublesSpinorbFullyWeightedExcGenerator_t

Arguments

Type IntentOptional Attributes Name
class(GAS_PCHB_DoublesSpinorbFullyWeightedExcGenerator_t), intent(in) :: this
integer(kind=n_int), intent(in) :: ilutI(0:nIfD)
integer(kind=n_int), intent(out) :: ilut_unoccupied(0:nIfD)
integer, intent(out) :: unoccupied(nBasis-nEl)

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