FindDoubleProb Subroutine

public subroutine FindDoubleProb(ForbiddenOrbs, NExcitA, NExcitB, NExcitOtherWay, pGen)

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: ForbiddenOrbs
integer, intent(in) :: NExcitA
integer, intent(in) :: NExcitB
integer, intent(in) :: NExcitOtherWay
real(kind=dp), intent(out) :: pGen

Source Code

    SUBROUTINE FindDoubleProb(ForbiddenOrbs, NExcitA, NExcitB, NExcitOtherWay, pGen)
        INTEGER, INTENT(IN) :: ForbiddenOrbs, NExcitA, NExcitB, NExcitOtherWay
        real(dp), INTENT(OUT) :: pGen!,PabGivenij

pGen = pDoubles * ((1.0_dp / real(NExcitB, dp)) + (1.0_dp / real(NExcitOtherWay, dp))) / (REAL((ElecPairs * (NExcitA - ForbiddenOrbs)), dp))

    END SUBROUTINE FindDoubleProb