Matt McDermott

Results 40 comments of Matt McDermott

Thanks for the nice feedback @utf. All the tests are passing :) The failure is a CI issue only (can't reproduce on my laptop). It seems related to calculating coverage....

Thanks @Zhuoying. Now getting some failures on the tests for forcefields flows?

@Zhuoying @utf tests are passing now. Codecov check is warning about the diff but seems to only apply to some lines in the builder (as far as I know, we...

@utf the magnetic orderings workflow is now implemented only in common, with defaults for VASP and a note about ensuring compatible `TaskDoc` implementation for alternate DFT codes. Note I bumped...

@munrojm Any idea why monty dump isn't working on MPRester docs? I think it used to... https://matsci.org/t/saving-mprester-mpdatadoc-objects/46013/3

@mkhorton I agree that with the increase in generative models we almost certainly need better handling of corrections and you presented a pretty compelling case for excluding anion oxidation states...

Hi @ancarnevali The issue you're running into with `MinimizeGrandPotentialEnumerator` is because the Nb2FeO6 target is not a stable phase at $\mu_O = 0$ eV. To confirm this, you an look...

Hi @MShirazAhmad, This is due to functionality we are using from `pymatgen`. For example, running: ```python from pymatgen.core import Composition Composition(H).reduced_formula ``` would return`H2`. Because we use the reduced formula...

Both my coworker and I ran into this same issue and it took us a while to figure out (downgrading ruamel.yaml was the easy fix). +1 for doing a new...

Can you please post a screenshot (or copy+paste) the conflicts you are getting and what installation command you are running? I have not updated the package dependencies in a while;...