#70 Ordering of bound states

[Burkhard Schmidt]

When using non-FFT representations, the bound states are not yet ordered according to their energies. This is because hamilt.eigen.eig_vals is NOT identical with the true energies expect.tot.tot.

This first occured to me when running qm_bound.m for Model II mentioned in https://sourceforge.net/p/wavepacket/wiki/Demos.MolRotation.Test_DVR/

[Burkhard Schmidt]

In principle, qm_bound could be rewitten easily, to work in three steps

• First loop over bound states to determine total energies (stored in expect.tot.tot)
• Sort total energies (stored in expect.tot.tot) in ascending order
• Second look over bound states, ordered according to the sorting indices

However, our problem won't fix so easily, because plot.wigner, plot.psi (and ket.save?) need "step" as an argument. This argument is used both to refer to expectations/populations AND to determine whether we are at first/last step.