dump_pseudo_atom_spec Subroutine

private subroutine dump_pseudo_atom_spec(xf, ps)

Uses

    • xmlf90_wxml

Arguments

Type IntentOptional Attributes Name
type(xmlf_t), intent(inout) :: xf
type(ps_t), intent(in), target :: ps

Contents

Source Code


Source Code

subroutine dump_pseudo_atom_spec(xf,ps)

  use xmlf90_wxml

  type(xmlf_t), intent(inout) :: xf
  type(ps_t), intent(in), target :: ps

  type(header_t), pointer :: h

  h => ps%header
  call xml_NewElement(xf,"pseudo-atom-spec")
  call my_add_attribute(xf,"atomic-label",trim(h%atomic_label))
  call my_add_attribute(xf,"atomic-number",str(h%z))
  call my_add_attribute(xf,"z-pseudo",str(h%zpseudo))
  call my_add_attribute(xf,"flavor",trim(h%flavor))
  call my_add_attribute(xf,"relativity",trim(h%relativity))
  if (h%polarized) then
     call my_add_attribute(xf,"spin-dft","yes")
  else
     call my_add_attribute(xf,"spin-dft","no")
  endif
  call my_add_attribute(xf,"core-corrections",trim(h%core_corrections))
  call my_add_attribute(xf,"meta-gga",trim(h%meta_gga))

  call dump_annotation(xf,h%annotation)

  call dump_xc_info(xf,ps%xc_info)
  call dump_config_val(xf,ps%config_val)

  call xml_EndElement(xf,"pseudo-atom-spec")

end subroutine dump_pseudo_atom_spec