Jonathan Vandermause

Thank you for sending your files! GitHub makes it difficult to attach files, so I think copy/pasting is the only way to do it. I believe I've root caused the...

OK, the fix is now merged into master. Can you please give it a try and let me know how it goes?

Awesome, glad to hear it's working! Thanks for reporting the bug.

Hi, I just updated the link, can you give it a try? It looks like the installation block no longer works in colab, I will fix when I get a...

The `add_uncertain_environments` method of the SparseGP class begins as follows: ``` void SparseGP ::add_uncertain_environments(const Structure &structure, const std::vector &n_added) { initialize_sparse_descriptors(structure); // Compute cluster uncertainties. std::vector sorted_indices = sort_clusters_by_uncertainty(structure); std::vector...

I'm having trouble reproducing this error. To confirm, you're referring to [this tutorial](https://colab.research.google.com/drive/1qgGlfu1BlXQgSrnolS4c4AYeZ-2TaX5Y#scrollTo=hOssRM0ut60Z), right? Can you give some details about your setup (lammps version, flare commit, operating system)? A few...

@anjohan, is this something we want to pursue? I'm inclined to close given the age of these commits and the failing builds

Thanks @henryiii, that would be helpful. As long as we can get the build passing I don't see a reason not to use scikit-build-core; it looks like it would be...

> Yes, ideally, as I think this would be a substantial improvement (and simplification). Yeah, I've looked into it a bit and agree, definitely an improvement. @henryiii I'm rebasing on...

Looks like github is showing the entire history of the repo since @henryiii's fork was created, making the merge pretty hard to read. I've made an identical but cleaner version...