[Wavepacket-user] Python Wavepacket 0.2

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

Hello everyone,

I have been continuing with the Python prototype, and version 0.2 is
now released. To try it out, just (set up a virtual environment and) run
"pip install wavepacket". The documentation can be found under
https://wavepacket.readthedocs.io.

To summarize version 0.2: It is now possible to simulate "real" model
systems. As a target / showcase, we have reproduced molecular alignment
simulations,
see https://wavepacket.readthedocs.io/stable/demos/pendular_states.html.

This includes quite some added functionality, though much is still
missing:

- spherical harmonic grid, initial state and relevant operators
- time-dependent laser fields and common shapes
- utility functions related to projections
- wider selection of initial states
- plotting support


I hope this work now starts being useful.


Regards,
Ulf