Andrew S. Rosen
Andrew S. Rosen
The latter is better than the former since it is easier to see when printed or on screen. As a logo, it's fine. Although if I am to nitpick, there...
Regardless, I like the new color scheme better!
Do we not want mpcontribs.org to redirect to https://contribs.materialsproject.org? I must admit, with mpcontribs.org redirecting to the docs, I actually had some (minor) trouble finding MPContribs! Searching "MPContribs" on Google...
> Adding that there may be better ways of doing oxidation state assignment too, to minimize this risk. An approach that I like, but have not seen applied to inorganic...
I'm biased by a world where composition is meaningless and the only thing that matters is structure. A MOF, after all, is basically all C, H, and O when your...
Thanks. Closing as duplicate.
Interesting. I could see the use case although I personally haven't run into this myself because I am almost always running quantum chemistry codes with Python wrappers that automatically capture...
Ah! You said the magic words. I totally get what you mean now! I'm 100% on board.
As a side-comment: does that exit code issue not make the ASE calculator not useful as-is? Perhaps put another way, would things work fine without Covalent but not with Covalent?...
Ah, I realized another related scenario where this comes up (for me at least). A lot of the workflows I run have some sort of error-handling routine associated with them,...