[Wavepacket-ng-devel] Plans for version 0.1.1

[Ulf L. <ul...@wa...>]

Hi,

just to continue with the roadmap a bit. I thought that for the next
release, some of the freshly implemented things should be polished.
In detail, I would plan the following:

- finalize MultiPropagators; make them default

  During the implementation of the Redfield stuff, I needed a framework
  to propagate multiple coupled states. This now parallels the ordinary
  framework to propagate a single state, but should actually supersede
  it. What is missing is convenient handling of the single state case,
  which requires a bit of refactoring.

- implement Chebychev propagators

  Chebychev propagators are fairly restrictive in that you need to
  supply the time steps explicitly; they are required for the
  construction. I think accommodating these propagators should help
  finalizing the definition of the Propagator interface.

- implement electric fields

  Time-dependent operators are now included, but not really nice to
  use. Somehow, convenient construction of typical laser fields should
  be added. Not quite sure how this will work out in the end or how
  much work this actually is. This should be strongly driven by a
  typical application.

There might be a few more side quests and cleanup issues, but these
three items should form the bulk of the coding for the next version.

Any comments? Suggestions? Objections?


Ulf