I just released the next C++-version of WavePacket. Some excerpts from the NEWS file:
- renamed some key classes to disentangle the concept "operator" from "expression/equation/Liouvillian". The new naming system is hopefully much more intuitive. See this blog post for the explanations.
- 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 new demos
- highlighted demo that explains how to setup thermal states (propagation in imaginary time, random wave functions etc.). See here.
- 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