ps_LibxcFunctional_Get Subroutine

public subroutine ps_LibxcFunctional_Get(ps, i, name, code, type, weight)

Arguments

Type IntentOptional AttributesName
type(ps_t), intent(in) :: ps
integer, intent(in) :: i
character(len=*), intent(out), optional :: name
integer, intent(out), optional :: code
character(len=*), intent(out), optional :: type
real(kind=dp), intent(out), optional :: weight

Contents


Source Code

subroutine ps_LibxcFunctional_Get(ps,i,name,code,type,weight)
  type(ps_t), intent(in) :: ps

  integer, intent(in)      :: i
  character(len=*), intent(out), optional :: name
  integer, intent(out), optional          :: code
  character(len=*), intent(out), optional :: type
  real(dp), intent(out), optional         :: weight

  call check_index(i,ps%xc_info%n_functs_libxc,"libxc functional")

  if (present(name)) then
     name = ps%xc_info%libxc_name(i)
  endif
  if (present(code)) then
     code = ps%xc_info%libxc_id(i)
  endif
  if (present(type)) then
     type = ps%xc_info%libxc_type(i)
  endif
  if (present(weight)) then
     weight = ps%xc_info%libxc_weight(i)
  endif
end subroutine ps_LibxcFunctional_Get