Stefan Bringuier

@carstenbauer thanks for the consideration. You're completely correct about this providing no true advantage, its merely for convenience and style. I was just looking to avoid broadcasting notation and add...

Similarly, I'm seeing Copilot++ just stopped working, :man_shrugging: . Copilot++ log looks fine: ``` 2024-04-26 22:20:32.712 [info] CURSOR LOG: Finished creating provider! ``` Version: 0.32.2 VSCode Version: 1.86.2 Commit: f8ed437267c50dbc975beb3d51f89c800277bb30...

Seems like there won't be any movement on this issue, :disappointed: .

Just following up here, I'm finding caching on Zenodo Sandbox just not working. I'll see: `User authentication for 10.5072/zenodo.XXXXX is valid.` and I see the record online. However, when running...

Thanks for the feedback! Will try things out. > For my benefit, what resources were you looking at? I was mostly going through the README file and YouTube video for...

I think I have an approach that will work for `LAMMPSlib` and possibly other internal calculators, it would only enable a serial execution thought. The implementation based on https://github.com/jochym/Elastic/blob/6117c9aeff8859a46860a34057e2f59c71c5a841/parcalc/parcalc.py#L578 Would...

@rkurchin thanks for the clarification and advice on possible paths forward; much appreciated!

Thanks for your interest! So I think your question is referring to the `cell` line in the input file: > #Hydrogen molecule #Angstroms cell 10.0 10.0 10.0 natoms 2 #Atoms...

@Leticia-maria so the `cell` field in `SystemOfAtoms` is not used, but the idea was that if the code base get's extended to allow for various transformations of the simulation, the...