Amanda Dumi

Results 19 comments of Amanda Dumi

Ah, I see this function is called in other places. I'll look at addressing these over the weekend.

In discussions for the LiveComs journal we came up with the following list of tutorials we'd like to include in the article, which naturally will find their way to the...

> Minor nits. But should the results from assigned occupancies go into `mooccnos`? Yeah i started implementing this, and i think i got confused by #1297 thinking the answer was...

I do realize rebase is messed up and will fix, sorry.

> If you have a copy of the branch before the rebase, or just a patch of the changes, I can try applying it. Thank you for offering, let me...

Hi! This is on the back burner until I address #1077 is addressed.

Hello! We're there any issues on the pull request I made into your branch? I was incorporating some of the parsing to populate the new metadata items you were after.

Hello @jvalegre, I made one more pull request into your branch. https://github.com/jvalegre/cclib/pull/2 , which removes metadata as attributes since they are now parsed into the dictionary. The change to chemicaljson...

Hm interesting, That's great then, I will add Gaussian to this list.