dump_config_val Subroutine

private subroutine dump_config_val(xf, p)

Uses

    • xmlf90_wxml

Arguments

Type IntentOptional Attributes Name
type(xmlf_t), intent(inout) :: xf
type(config_val_t), intent(in) :: p

Contents

Source Code


Source Code

subroutine dump_config_val(xf,p)

  use xmlf90_wxml

  type(xmlf_t), intent(inout) :: xf
  type(config_val_t), intent(in) :: p

  integer :: i

  call xml_NewElement(xf,"valence-configuration")
  call my_add_attribute(xf,"total-valence-charge",str(p%total_charge))
  call dump_annotation(xf,p%annotation)
  do i = 1, p%nshells
     call xml_NewElement(xf,"shell")
     call my_add_attribute(xf,"n",str(p%n(i)))
     call my_add_attribute(xf,"l",p%l(i))
     call my_add_attribute(xf,"occupation",str(p%occ(i)))
     if ((p%occ_up(i) + p%occ_down(i)) /= 0.0_dp) then
        call my_add_attribute(xf,"occupation-down",str(p%occ_down(i)))
        call my_add_attribute(xf,"occupation-up",str(p%occ_up(i)))
     endif
     call xml_EndElement(xf,"shell")
  enddo
  call xml_EndElement(xf,"valence-configuration")
     
end subroutine dump_config_val