J. George comments

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                                            J. George

[Breaking] Include Scandium (Sc) and Yttrium (Y) as rare earth metals for `Element`

Just want to mention here that I expect lot's of code to be broken. Is there a way to notify users of this change or have a deprecation period?

[Breaking] Include Scandium (Sc) and Yttrium (Y) as rare earth metals for `Element`

Maybe, rename the property and deprecate the old one?

[Breaking] Include Scandium (Sc) and Yttrium (Y) as rare earth metals for `Element`

Renaming for the deprecation. I personally don't think it is acceptable without proper deprecation.

[Breaking] Include Scandium (Sc) and Yttrium (Y) as rare earth metals for `Element`

> Instead of a breaking change, could you @DanielYang59 add a separate property > > ``` > def is_iupac_rare_earth_metal(self) -> bool: > """ > True if element is a rare...

[Breaking] Include Scandium (Sc) and Yttrium (Y) as rare earth metals for `Element`

Great, @DanielYang59 ! I am happy as well with this solution!

`ElasticMaker` shouldn't use submaker as default factory by design

> So currently, this doesn't actually require CHGNet to be installed I don't think. I.e., you can import this and overwrite those makers to get a MACE or M3GNet elastic...

BUG: Potential incompatibility with "old" MP GGA workflow w.r.t. k-points in GGA static calculations

Thanks for pointing this out. We in our group mostly adapt the sets for our runs and therefore don't notice such problems. Especially for future MP production runs, however, this...

After Jupyter Update: Access Denied

Same here.

After Jupyter Update: Access Denied

My issue got resolved when setting everything up from scratch. Probably a version conflict in my case.

Calc quality analysis needs to be updated

You are invited to prepare both PRs. I will merge them