Making ACEfit.jl Problem agnostic

ACEsuit / ACEfit.jl

Generic Codes for Fitting ACE models

MIT License

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Making ACEfit.jl Problem agnostic #31

Closed cortner closed 2 years ago

cortner commented 2 years ago

I wonder whether ACEfit needs the JuLIP dependency. The observation classes that need JuLIP could just be moved into ACE1.jl or ACE1pack.jl. Is there any other reason?

I would really like it if ACEfit could be entirely abstract. (just as HAL should be as well)

wcwitt commented 2 years ago

I'm fine with this and will do it when I find time. As far as I remember, it was something I did in haste to simplify things when debugging MPI segfaults.

cortner commented 2 years ago

Can we also remove ACEbase ?

wcwitt commented 2 years ago

I think this is all done now, resolving.