Closed adworacz closed 1 year ago
Thanks, I forgot to change.
Sorry i can't comment on the lines/do a review, i'm from phone.
You should correctly sort imports and there's no need to instantiate the dfttest object.
@Setsugennoao
I guess we should also change kwargs to be the DFTTest ones, like tr=0 and use SLocation/sloc.
Fair enough, I’ll work on those changes when I get back to my laptop.
And are you using an automated formatter of any kind? Id like to use something to handle things like the import sorting, but I want to make sure I match whatever y’all use for consistency.
Updated, also using the DFTTest class style args.
This will automatically enable GPU acceleration if the user has the required dfttest2 libraries.