ClassicAbInitExcitationGenerator_t
Type | Intent | Optional | 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 |
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