rtab*.f90 code

[YenochQin]

Hi everyone, I find the rtab*.f90 program files convert configurations' quantum labels may not be considered the occupation of electrons in d, f ,g ... subshells over ten. So I changed some code to fix it.

   !  Replace (n) with ^n

   if ((labelstring(i:i).eq.'(').and.(labelstring(i+2:i+2).eq.')')) then
         labelstring(i:i) = '^'
         labelstring(i+2:i+2) = ' '
      end if
   end do

change to

!  Replace (n) with ^n

      if ((labelstring(i:i).eq.'(').and.(labelstring(i+2:i+2).eq.')')) then
         labelstring(i:i) = '^'
         labelstring(i+2:i+2) = ' '
      else if ((labelstring(i:i).eq.'(').and.(labelstring(i+3:i+3).eq.')')) then
         dummystring = labelstring
         labelstring(1:i-1) = dummystring(1:i-1)
         labelstring(i:i) = '^'
         labelstring(i+1:i+1) = '{'
         labelstring(i+2:i+3) = dummystring(i+1:i+2)
         labelstring(i+4:i+4) = '}'
         labelstring(i+5:144) = dummystring(i+4:143)
      end if

And

!  If integer1 and S, P, D, F, G, H, I, K, L, M, N and integer2 replace with (^integer1_integer2S), (^integer1_integer2P), etc

   do l = 1,15
      ncase = 0
      do i = 1,142
         do j = 48,57
            do k = 48,57
               char1 = labelstring(i:i)
               char2 = labelstring(i+1:i+1)
               char3 = labelstring(i+2:i+2)
               if ((ichar(char1).eq.j).and.(ichar(char3).eq.k).and.((char2.ne.'~').and.(char2.ne.' ').and.(char2.ne.'_'))) then
                  dummystring = labelstring
                  labelstring(1:i-1) = dummystring(1:i-1)
                  labelstring(i:i+6) = '(^'//char1//'_'//char3//char2//')'
                  labelstring(i+7:145) = dummystring(i+3:141)
                  ncase = ncase + 1
               end if
            end do
         end do
         if (ncase.eq.1) exit
      end do

change to

!  If integer1 and S, P, D, F, G, H, I, K, L, M, N and integer2 replace with (^integer1_integer2S), (^integer1_integer2P), etc

   do l = 1,15
      ncase = 0
      do i = 1,142
         do j = 48,57
            do k = 48,57
               char1 = labelstring(i:i)
               char2 = labelstring(i+1:i+1)
               char3 = labelstring(i+2:i+2)
               if ((ichar(char1).eq.j).and.(ichar(char3).eq.k).and. ((char2.ne.'~').and.(char2.ne.' ').and.(char2.ne.'_').and.(char2.ne.'}'))) then
                     dummystring = labelstring
                     labelstring(1:i-1) = dummystring(1:i-1)
                     labelstring(i:i+6) = '('//'^'//char1//'_'//char3//char2//')'
                     labelstring(i+7:145) = dummystring(i+3:141)
                     ncase = ncase + 1
               end if
            end do
         end do
         if (ncase.eq.1) exit
      end do

Have a nice day.