[Wavepacket-ng-devel] Wavepacket C++ 0.2.4 released

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

Hello everyone,

I just released the next C++-version of WavePacket.
The main highlights:

* renamed some key classes to disentangle the concept "operator" from
  "expression/equation/Liouvillian". The new naming system is hopefully
  much more intuitive. For a deeper explanation, see the blog entry
  https://sourceforge.net/p/wavepacket/cpp/blog/2019/03/naming-the-components-of-equations/

* The Python interface can be installed as a regular Python module.
  There are still some loose ends here and there, but it works.

* added a couple of new demos
    * highlighted demo that explains how to setup thermal states
      (propagation in imaginary time, random wave functions etc.). See
      https://wavepacket.sourceforge.net/cpp-doc/0.2.4/demo_thermal.xhtml.
    * demo that uses multiple electronic states
      (MolElectronic/OH/1 and 2)
    * unfinished demo that sets up a Lindblad relaxation
      (MolVibration/OH/3)

* improved several PropagationObservers
    * LoggingObserver deals correctly with multiple electronic states
    * Plot1DObserver is way easier to setup, and can plot output for
      multiple electronic states

* added a projection operator

* some other minor fixes and improvements



Ulf