CO2 tutorial improvements
A few things to be addressed in the future:
- printing a list of top k (k is user given) subgroups, not just the top one
- allowing selection of features in TR. I do not think I got an answer, here: which feature are offered to the TR training, in the notebook and in the learning done for the manuscript? All the features listed in the section "physical features"?
- remove hard-coded data in the script and all bad-programming choice such as relative change of directories
- a tough but very important task: providing the scripts to extract the data from the raw FHI-aims calculations, essentially a meta-notebook that provides the input data to this notebook. As usual, if the processing is slow (to be defined), the data table is pre-loaded like now, but each entry points back to a FHI-aims calculation and a script for reproducing the reported values. This task will very probably tackled by a new guy who will be 100% in publishing notebooks, but they will need assistance from Alex.