loewdin_population_analysis Subroutine

public subroutine loewdin_population_analysis(a, b, f, output, d_given)

loewdin population analysis

Arguments

Type IntentOptional Attributes Name
type(atom_set), intent(in) :: a(:)
type(basis), intent(in) :: b
type(wf_data), intent(in) :: f
integer, intent(in) :: output
real(kind=long), optional :: d_given(b%n_basis,b%n_basis)