first, I want to announce that the reference for the settable parameters
has been moved to the wiki and can be found under
This is also the version that we will continue to maintain.
Then, we also plan on migrating the more useful parts of the manual to the
wiki and to add a tutorial in the nearer future. Now the question is: What
do you suggest to have in the manual or tutorial? There are probably a few
things that you came across that were not obvious, or where you would have
appreciated (or maybe still appreciate) a better documentation. What are
As a guideline, my current schedule for the manual is to have some
- the basic layout (code flow, what you have to do to run a calculation)
- how interpolation works
- how the grids work
- how truncation works
- how electric fields work
- saving and loading
For the tutorial, I have not thought too much yet. It should probably
build up roughly like this:
1. Getting started (1D harmonic oscillator or so)
2. multidimensional grids
3. multiple electronic states, diabatic/adiabatic etc.
4. Adding Electric fields
5. Saving/loading; simple scripting
6. Writing an own potential/dipole function.