abinit_gen_exc Subroutine

private subroutine abinit_gen_exc(this, nI, ilutI, nJ, ilutJ, exFlag, ic, ex, tParity, pGen, hel, store, part_type)

Type Bound

ClassicAbInitExcitationGenerator_t

Arguments

Type IntentOptional Attributes Name
class(ClassicAbInitExcitationGenerator_t), intent(inout) :: this
integer, intent(in) :: nI(nel)
integer(kind=n_int), intent(in) :: ilutI(0:NIfTot)
integer, intent(out) :: nJ(nel)
integer(kind=n_int), intent(out) :: ilutJ(0:NifTot)
integer, intent(in) :: exFlag
integer, intent(out) :: ic
integer, intent(out) :: ex(2,maxExcit)
logical, intent(out) :: tParity
real(kind=dp), intent(out) :: pGen
real(kind=dp), intent(out) :: hel
type(excit_gen_store_type), intent(inout), target :: store
integer, intent(in), optional :: part_type

Contents

Source Code


Source Code

    subroutine abinit_gen_exc(this, nI, ilutI, nJ, ilutJ, exFlag, ic, &
        ex, tParity, pGen, hel, store, part_type)
        class(ClassicAbInitExcitationGenerator_t), intent(inout) :: this
        integer, intent(in) :: nI(nel), exFlag
        integer(n_int), intent(in) :: ilutI(0:NIfTot)
        integer, intent(out) :: nJ(nel), ic, ex(2, maxExcit)
        integer(n_int), intent(out) :: ilutJ(0:NifTot)
        real(dp), intent(out) :: pGen
        logical, intent(out) :: tParity
        HElement_t(dp), intent(out) :: hel
        type(excit_gen_store_type), intent(inout), target :: store
        integer, intent(in), optional :: part_type

        call gen_exc_sd(nI, ilutI, nJ, ilutJ, exFlag, ic, &
            ex, tParity, pGen, hel, store, part_type, &
            this%singles_generator, this%doubles_generator)
    end subroutine abinit_gen_exc