init_fullStartWeight Function

public function init_fullStartWeight(csf_i, sOrb, pOrb, negSwitches, posSwitches, bVal) result(fullStart)

Arguments

Type IntentOptional Attributes Name
type(CSF_Info_t), intent(in) :: csf_i
integer, intent(in) :: sOrb
integer, intent(in) :: pOrb
real(kind=dp), intent(in) :: negSwitches
real(kind=dp), intent(in) :: posSwitches
real(kind=dp), intent(in) :: bVal

Return Value type(WeightObj_t)


Contents

Source Code


Source Code

    function init_fullStartWeight(csf_i, sOrb, pOrb, negSwitches, &
                                  posSwitches, bVal) result(fullStart)
        type(CSF_Info_t), intent(in) :: csf_i
        integer, intent(in) :: sOrb, pOrb
        real(dp), intent(in) :: negSwitches, posSwitches
        real(dp), intent(in) :: bVal
        type(WeightObj_t) :: fullStart
        character(*), parameter :: this_routine = "init_fullStartWeight"

        type(WeightObj_t), target, save :: single
        ASSERT(sOrb > 0 .and. sOrb <= nSpatOrbs)
        ASSERT(pOrb > 0 .and. pOrb <= nSpatOrbs)
        ASSERT(negSwitches >= 0.0_dp)
        ASSERT(posSwitches >= 0.0_dp)

        fullStart%dat%F = endFx(csf_i, sOrb)
        fullStart%dat%G = endGx(csf_i, sOrb)

        ! have to set up a single weight obj.
        single = init_singleWeight(csf_i, pOrb)

        ! try to reuse the already initialized singles weight in the cause of
        ! an excitation, i hope this works with the pointers and stuff.
        fullstart%ptr => single

        fullStart%dat%minus = single%proc%minus(negSwitches, bVal, single%dat)
        fullStart%dat%plus = single%proc%plus(posSwitches, bVal, single%dat)

        fullStart%proc%minus => getMinus_fullStart
        fullStart%proc%plus => getPlus_fullStart
        fullStart%proc%zero => getZero_fullStart

        fullStart%initialized = .true.

    end function init_fullStartWeight