molecular_basis_num_basis_functions Function

private pure function molecular_basis_num_basis_functions(self) result(nbf)

Get total number of basis functions for the molecule

Type Bound

molecular_basis_type

Arguments

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

Return Value integer


Calls

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

Variables

Type Visibility Attributes Name Initial
integer, private :: iatom

Source Code

   pure function molecular_basis_num_basis_functions(self) result(nbf)
      !! Get total number of basis functions for the molecule
      class(molecular_basis_type), intent(in) :: self
      integer :: nbf
      integer :: iatom

      nbf = 0
      do iatom = 1, self%nelements
         nbf = nbf + self%elements(iatom)%num_basis_functions()
      end do
   end function molecular_basis_num_basis_functions