ACEsuit / ACEpotentials.jl

Machine Learning Interatomic Potentials with the Atomic Cluster Expansion
MIT License
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WIP: Save and Recover Project Information #255

Closed cortner closed 2 weeks ago

cortner commented 3 weeks ago

moving PR #247 to this repo to collaborate on it.

cortner commented 3 weeks ago

@CheukHinHoJerry -- ready to continue on this. I was in a rush didn't manage to fully resolve the conflicts on save_potential - please take a look.

CheukHinHoJerry commented 3 weeks ago

No problem. Thanks for moving this.

CheukHinHoJerry commented 2 weeks ago

I will add test for recovering the manifest and project later too. Are those changes in the Project.toml intended?

cortner commented 2 weeks ago

Are those changes in the Project.toml intended?

What changes? Removing EmpiricalPotentials and UFACE - yes, that was intended (for now). UFACE will be deleted permanently but EP I'll probably bring back over the weekend.

CheukHinHoJerry commented 2 weeks ago

This PR is ready for review.

cortner commented 2 weeks ago

thank you, Jerry!