FindNewSingDet Subroutine

public subroutine FindNewSingDet(nI, nJ, Elec1Ind, OrbA, ExcitMat3, tParity)

Arguments

Type IntentOptional Attributes Name
integer :: nI(NEl)
integer :: nJ(NEl)
integer :: Elec1Ind
integer :: OrbA
integer :: ExcitMat3(2,2)
logical :: tParity

Contents

Source Code

FindNewSingDet

Source Code

    SUBROUTINE FindNewSingDet(nI, nJ, Elec1Ind, OrbA, ExcitMat3, tParity)
        INTEGER :: nI(NEl), nJ(NEl), Elec1Ind, OrbA, ExcitMat3(2, 2)
        LOGICAL :: tParity

!First construct ExcitMat3
        ExcitMat3(1, 1) = Elec1Ind
        ExcitMat3(2, 1) = OrbA
        ExcitMat3(1, 2) = 0
        ExcitMat3(2, 2) = 0
        nJ(:) = nI(:)
        CALL FindExcitDet(ExcitMat3, nJ, 1, tParity)

    END SUBROUTINE FindNewSingDet