new_ncoord Subroutine

subroutine new_ncoord(self, mol, cn_count_type, error, kcn, cutoff, rcov, en, cut, norm_exp)
   !> Instance of the coordination number container
   class(ncoord_type), allocatable, intent(out) :: self
   !> Molecular structure data
   type(structure_type), intent(in) :: mol
   !> Coordination number type
   integer, intent(in) :: cn_count_type
   !> Error handling
   type(error_type), allocatable, intent(out) :: error
   !> Optional steepness of counting function
   real(wp), intent(in), optional :: kcn
   !> Optional real space cutoff
   real(wp), intent(in), optional :: cutoff
   !> Optional set of covalent radii to be used in CN
   real(wp), intent(in), optional :: rcov(:)
   !> Optional set of electronegativities to be used in CN
   real(wp), intent(in), optional :: en(:)
   !> Optional cutoff for the maximum coordination number
   real(wp), intent(in), optional :: cut
   !> Optional exponent of the distance normalization
   real(wp), intent(in), optional :: norm_exp

   select case(cn_count_type)
   case default 
      call fatal_error(error, "Unsupported option for coordination number")
      return 
   case(cn_count%exp)
      block
         type(exp_ncoord_type), allocatable :: tmp
         allocate(tmp)
         call new_exp_ncoord(tmp, mol, kcn=kcn, cutoff=cutoff, rcov=rcov, cut=cut)
         call move_alloc(tmp, self)
      end block
   case(cn_count%dexp)
      block
         type(dexp_ncoord_type), allocatable :: tmp
         allocate(tmp)
         call new_dexp_ncoord(tmp, mol, cutoff=cutoff, rcov=rcov, cut=cut)
         call move_alloc(tmp, self)
      end block
   case(cn_count%erf)
      block
         type(erf_ncoord_type), allocatable :: tmp
         allocate(tmp)
         call new_erf_ncoord(tmp, mol, kcn=kcn, cutoff=cutoff, &
            & rcov=rcov, cut=cut, norm_exp=norm_exp)
         call move_alloc(tmp, self)
      end block
   case(cn_count%erf_en)
      block
         type(erf_en_ncoord_type), allocatable :: tmp
         allocate(tmp)
         call new_erf_en_ncoord(tmp, mol, kcn=kcn, cutoff=cutoff, &
            & rcov=rcov, en=en, cut=cut, norm_exp=norm_exp)
         call move_alloc(tmp, self)
      end block
   case(cn_count%dftd4)
      block
         type(erf_dftd4_ncoord_type), allocatable :: tmp
         allocate(tmp)
         call new_erf_dftd4_ncoord(tmp, mol, kcn=kcn, cutoff=cutoff, &
            & rcov=rcov, en=en, cut=cut, norm_exp=norm_exp)
         call move_alloc(tmp, self)
      end block
   end select

end subroutine new_ncoord