This release took unusually long; I usually strive for about two releases per year. This one was overdue due to some assistance with getting the underlying tensor library to use CMake, and a rather discouraging set of issues that I mostly dropped for an alternative approach. Anyway. What did change?
Wavepacket can propagate a density matrix with some system-bath coupling completely in the DVR. That is pretty neat, but, as it turned out, mostly useless.
When you use a reduced density matrix for open system dynamics, you always set up your Lindblad or Redfield Liouvillian in the energy eigenstate basis. This has two reasons. One is that you generally go for the Caldeira-Leggett model where the bath consists of uncoupled harmonic oscillators at different frequencies, which defines the coupling in an energy eigenstate basis. The other reason is that you normally want to have relaxation to thermal equlibrium as limiting case, which is difficult to express outside of an energy eigenstate basis.
Version 0.3.5 offers functionality where you only need a system Hamiltonian and specify a spectral density and get a Lindblad Liouvillian with a moderate amount of work. See the example MolVibration/OH/3 for a slightly more involved example of that. This scheme, however, does not deal with the Lamb shift, which can be relevant, but is tricky to calculate in any case, so I will probably stop at the current level of assistance.
I was not happy with a