Draft: Generic calculator for castep
A GenericFileIO calculator for Castep.
Hopefully this will eventually replace the rather complicated Castep calculator, but it should be able to exist in parallel for a little while until a reasonable feature set is achieved.
This work started as part of the March 2023 Hackathon effort to develop "Engine" prototypes (https://gitlab.com/ase/ase-engines); these engines can make direct use of the Profile and Template parts as well as creating a Calculator as needed. The Castep team at this event was @peter.byrne @sk_sideboard and @ajjackson .
Edited by Adam Jackson