[Wavepacket-user] WavePacket (C++ and Python!) version 0.3 released

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

Hello everyone,

I hereby announce the release of version 0.3 of the C++ version of
Wavepacket.

It got delayed by two months because I tried a Windows compilation, but
this became more involved / difficult, so I finally gave up for now and
released. Anyway, the major new features:

* Complete Python interface.

  Each relevant class has an equivalent in Python, so you can now
  write the programs as Python scripts. All demos also got an
  equivalent Python script.

* Cleanup of the initial states

  The StateBuilder class was just a bracket around some functions.
  Broke it down into the simple functions and added some more functions
  (random wavefunctions, unit density operators and such).

* Bug fix: Plotting and outputting wave function was incorrect

  It included some grid weights.


Also the usual minor issues and bugfixes, for example I named similar
parameters equally.

After discussion with Burkhard, I would focus on implementing most
functionality of the Matlab version, so that people without Matlab have
a useful alternative. Also, I want to get something working under
Windows.


Happy New Year soon,
Ulf