cgto_num_basis_functions Function

private pure function cgto_num_basis_functions(self) result(nbf)

Get number of basis functions in a shell (Cartesian)

Type Bound

cgto_type

Arguments

Type IntentOptional Attributes Name
class(cgto_type), intent(in) :: self

Return Value integer


Called by

proc~~cgto_num_basis_functions~~CalledByGraph proc~cgto_num_basis_functions cgto_type%cgto_num_basis_functions proc~atomic_basis_num_basis_functions atomic_basis_type%atomic_basis_num_basis_functions proc~atomic_basis_num_basis_functions->proc~cgto_num_basis_functions proc~molecular_basis_num_basis_functions molecular_basis_type%molecular_basis_num_basis_functions proc~molecular_basis_num_basis_functions->proc~atomic_basis_num_basis_functions

Source Code

   pure function cgto_num_basis_functions(self) result(nbf)
      !! Get number of basis functions in a shell (Cartesian)
      class(cgto_type), intent(in) :: self
      integer :: nbf

      ! Cartesian: (ang_mom+1)*(ang_mom+2)/2
      nbf = (self%ang_mom + 1)*(self%ang_mom + 2)/2
   end function cgto_num_basis_functions