J. George
J. George
Realated question: can you keepnthe pymatgen PR backward compatible?
I would also like to mention that this would be a very useful addition for us as well. We have at least one or two cases, where by accident, a...
Do you maybe have an incar update in the `atomate2.yaml` file?
Thank you for reporting this. I am personally not an expert for this module. @shyuep, do you by chance have some insights here? This comment has been added more than...
@esoteric-ephemera i would be concerned about lots of breaking changes, especially for the units. Users will not be able to easily discover this. Or do I get the discussion wrong?
@esoteric-ephemera i would prefer this approach!
@tpurcell90 You can always ask nicely on the repo for a release. Usually, the release follows quite fast. 🙂
@QuantumChemist Thanks! I am happy to merge if the tests pass 😀
@janosh is the issue with the defects part also still existing? I usually had to install the defects add-on for the tests.
@QuantumChemist there are a few problems currently. @janosh was working on some of them already.