Cooper
Cooper
Thanks for the great response @oliver-s-lee. You were indeed correct that changing the encoding to latin-1 fixed the issue. What's puzzling to me is that all of my ORCA files...
In case anyone else encounters this issue, the ORCA developers acknowledged it is a [bug that will be fixed in the next version](https://orcaforum.kofo.mpg.de/viewtopic.php?f=11&t=11326)
Hi @utf, I emailed [email protected] but didn't get a reply. Is that the correct email? Your faculty profile seems to show it as [email protected].
Hi @utf I think we're ready for you to look at the sets and jobs. You'll see that they're quite bare right now but functional. We haven't finished writing tests...
Hi @utf This PR should now be ready to merge. All of the JDFTx related tests should pass. There is one cp2k test that's failing, however this is also the...
Hi @utf I'm happy to make both of those changes. Do you think it makes sense to merge the changes before moving the sets to pymatgen for the sake of...
Hi @utf, Sorry for the long pause on this from my end. I deleted the `jdftxcov.xml` file and didn't include it in the gitignore because I don't think it's necessary....