Janosh Riebesell

Results 454 comments of Janosh Riebesell

@advancesoftcorp Thank you very much! I assume you've tested the CHGNet interface on an example system? Are you able the share the code for that? We'd be happy to add...

> Since the force fields can be used for many workflows I think this makes sense agreed!

Just to clarify, I didn't compare in detail but the `ElasticityDoc` in `emmet-core` https://github.com/materialsproject/emmet/blob/4f2c35976d05369f3947014dbfef6baf98e1500f/emmet-core/emmet/core/elasticity.py#L156-L353 looks similar to `ElasticDocument` in `atomate2`. So if there is potential for consolidation, we should pursue...

I think a futuristic font and a gradient would look cool. [Something like this](https://logoai.com/logo/1092325).

I didn't pay for the logo, just threw the bitmap into a [vectorizer](https://vectorization.eu/color-svg-converter) (so the curves aren't perfect) and fixed up the gradient. But if we actually end up using...

I think the `atomate2` repo is the obvious place to collect such tutorial notebooks. It always bugged me that it took me close to two years from starting to contribute...

@JaGeo Yes, Jupyter supports cell metadata which can contain tags. E.g. ```json { "jupyter": { "outputs_hidden": true }, "tags": [ "remove-input", ] } ``` will hide both input and output...

I suspect (could be wrong) `matgl` is the culprit here. I just tried and failed to publish a new release (which may or may not fix this) over at https://github.com/materialsvirtuallab/matgl/releases/tag/v0.8.6....

I think that would be useful, but I don't think it's on anyone's to do list at the moment.