Seán Kavanagh

Hi! I'm also getting the same error notifications, on `PyCharm.2022.3.1` with `pylint` 2.15.0, plugin 0.14.0 and python 3.8. Is there any update or solution to this?

Not sure if it's related, but just to mention in case it is and is useful to know. Our GitHub Actions tests for [`doped`](https://github.com/SMTG-UCL/doped) started crashing in certain cases (`ubuntu-latest`,...

Not sure if this issue is relevant: https://github.com/wandb/wandb/issues/8072

Direct initialisation of split interstitial structures isn't automated in `doped`, as there's a lot of configurational complexity and combinatorial explosion of possible structures for this. However, we have found that...

Just to note @seatonullberg, I was thinking about this a bit more. If one wanted to directly target/initialise dumbbell-like split-interstitials for testing, this could be automated _relatively_ easily by: -...

Yeah so [Voronoi tessellation](https://en.wikipedia.org/wiki/Voronoi_diagram) is the main approach for this I've seen. We use code for this in `ShakeNBreak` `input.py`: https://github.com/SMTG-Bham/ShakeNBreak/blob/main/shakenbreak/input.py for getting the vertices of the Voronoi polyhedra, that...

Looking good @alexsquires. I like the mix-in/abstract class approach. The `_interpolate_chempots()` function is quite nice, and I think will likely be one of the mostly-used features from these additions. From...

@alexsquires sorry for the delay in getting to this! Busy time... Looking very very nice, thanks very much for your work with this! 🙌 Some small queries from me: -...

Fyi, the `py-sc-fermi` interface tutorial is now accessible here: https://doped.readthedocs.io/en/dopey_fermi/py_sc_fermi_interface_tutorial.html

@alexsquires just to flag, it seems like there are some unused files included here in the CdTe examples directory. Before merging can we check that only the ones needed are...