Open zerothi opened 3 years ago
Hmm yea if the sisl toolbox is now being exposed to the cli, this could be a good idea :) It'll be easier for everyone. What about documentation? I think it would be nice to have both an overview of tools and a small section with description for each.
I'll look at a PR later. I think it would be a good idea to put spin polarization support and contour support in beforehand.
The toolbox is exposed in the latest commit through:
stoolbox <tool-name> <tool-options>
You can find details here and just ensure that the you follow the instructions, let me know if they need to be more clear!
Feel free to ask any questions ;)
Great idea!!
I think this would be really useful in
sisl_toolbox
.The idea is that tool-boxes are "temporary" placements of code that could probably go into the sisl machinery while still be exposed to users.
I have just updated the toolbox with a new CLI,
stoolbox
which can dynamically create new sub-parsers.You'll find this in
toolbox/cli/__init__.py
.I think this project would easily fit this description and be very useful for users. As it is sisl automatically installs the
sisl_toolbox
which then also exposes any packages from that module.I think this could go in the
toolbox/transiesta/easyse
folder or perhaps a more descriptive name,par_rsse
? or something?What do you think?