ps_PseudoWf_Get Subroutine

public subroutine ps_PseudoWf_Get(ps, i, l, j, n, set, energy_level, annotation, func)

Arguments

Type IntentOptional Attributes Name
type(ps_t), intent(in), target :: ps
integer, intent(in) :: i
integer, intent(out), optional :: l
real(kind=dp), intent(out), optional :: j
integer, intent(out), optional :: n
integer, intent(out), optional :: set
real(kind=dp), intent(out), optional :: energy_level
type(assoc_list_t), intent(out), optional :: annotation
type(ps_radfunc_t), intent(out), optional :: func

Contents

Source Code


Source Code

subroutine ps_PseudoWf_Get(ps,i,&
            l,j,n,set,energy_level,annotation,func)
type(ps_t), intent(in), target    :: ps
integer,   intent(in)             :: i
integer, intent(out), optional    :: set
integer, intent(out), optional    :: l
real(dp), intent(out), optional   :: j
integer, intent(out), optional    :: n
real(dp), intent(out), optional   :: energy_level
type(ps_annotation_t), intent(out), optional :: annotation
type(ps_radfunc_t), intent(out), optional    :: func

type(wf_table_t), pointer :: q(:)
q => ps%wf_table

call check_index(i,size(q),"wf")
if (present(set)) then
   set = q(i)%p%set
endif
if (present(l)) then
   l = l_of_sym(q(i)%p%l,"wf")
endif
if (present(n)) then
   n = q(i)%p%n
endif
if (present(j)) then
   if (q(i)%p%j < 0.0) then
      j = -1.0_dp
      ! Maybe optional status flag raised?
   else
      j = q(i)%p%j
   endif
endif

if (present(energy_level)) then
   ! Will return a very large positive value if the attribute energy_level is not
   ! present in the file
   energy_level = q(i)%p%energy_level
endif


if (present(annotation)) then
   annotation = q(i)%p%parent_group%annotation
endif

if (present(func)) then
   func = q(i)%p%Phi
endif
end subroutine ps_PseudoWf_Get