You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
E.g. in the case of Geometry there are implementations to convert from/to ASE atoms. So with a simple wrapper it should be easy to support:
importaseimportsisl# Define a structure as an ase atoms objectgeometry=ase.Atoms(...)
# Get the rotated ase atoms objectrotated_geometry=sisl.rotate(geometry, 30, [0,0,1])
I think it would be quite cool. It would be similar to how numpy can apply operations on many objects, although the implementation would be different in the sense that is based on sisl implementing the converters.
The text was updated successfully, but these errors were encountered:
This could be cool, but I think it has very low priority. There are soo many issues open that I think we should try to finish some of them ;)
I also can't really see who will use it? Much of the functional methods are also done in other codes, with slightly different API's, so my bet is that if somebody is using ase, then they would stick with that. :)
I would see this being useful if some function is not implemented in ASE, or it has an API that is more complicated to acheive a certain goal. If someone asks how to acheive that thing in Matter Modelling, then you can answer: "use this function in sisl". And you will have introduced sisl to them with minimal friction :)
I don't really mind if it is a small pr, but I don't think you should spend tons of time on this, I would still prefer some help on thinking about the categories, and how we can solve that issue ;)
E.g. in the case of
Geometry
there are implementations to convert from/to ASE atoms. So with a simple wrapper it should be easy to support:I think it would be quite cool. It would be similar to how
numpy
can apply operations on many objects, although the implementation would be different in the sense that is based onsisl
implementing the converters.The text was updated successfully, but these errors were encountered: