Andrew S. Rosen
Andrew S. Rosen
@lbluque: Thanks for putting this together! Do you have an ETA for when this PR might be merged? We are hoping to submit a manuscript next month where we think...
@lbluque: That would be great, thanks! We'll be sure to include the results in our paper then and be the first to use it! Tagging @aryannsaha. This is what I...
I am also unsure where the best solution for this is. I am imagining a scenario where the user will run a relax --> static calculation. They launch the calculation...
Also pinging @gpetretto in case he has any thoughts about what considerations might need to come into play with regards to getting this or a similar approach to work nicely...
Just adding a note for @vineetbansal that the `Maker` class can be found in `jobflow.core.maker.Maker`. Additional context can be found [here](https://materialsproject.github.io/jobflow/tutorials/6-makers.html).
FYI: These failed tests don't have anything to do with the PR. One is a typical codecov upload error and the other is due to a pre-commit update.
Closing as stale.
Thanks for the replies! Admittedly, no, I do not have any recommendations! But perhaps @blaiszik does? In any case, I mostly wanted to start the conversation here :)
Hi @anuroopsriram. @zulissi had suggested the above approach as a workaround. Could the stresses not be computed conservatively in a similar manner as UMA-ODAC?
If you are removing functionality altogether, then we should be removing the keyword argument. I am not opposed to its removal because I am generally of the opinion that packages...