get_cn_count_string Function

public pure function get_cn_count_string(cn_count_id) result(cn_count_name)

Translate string into coordination number type

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: cn_count_id

ID for coordination number counting function

Return Value character(len=:), allocatable

String for coordination number counting function


Source Code

pure function get_cn_count_string(cn_count_id) result(cn_count_name)
   !> ID for coordination number counting function
   integer, intent(in) :: cn_count_id
   !> String for coordination number counting function
   character(len=:), allocatable :: cn_count_name

   select case(cn_count_id)
   case default
      ! Empty string to indicate unknown CN option
      cn_count_name = ""
   case(cn_count%exp)
      cn_count_name = "exp"
   case(cn_count%dexp)
      cn_count_name = "dexp"
   case(cn_count%erf)
      cn_count_name = "erf"
   case(cn_count%erf_en)
      cn_count_name = "erf_en"
   case(cn_count%dftd4)
      cn_count_name = "dftd4"
   end select

end function get_cn_count_string