Alex Ganose
Alex Ganose
I definitely prefer the newer version. Also tagging @computron for his thoughts.
I would be happy to accept a PR that skips tests if the packages aren't installed.
Hi @mkhorton, this is something I've spoken to @gpetretto and @davidwaroquiers about. I believe the only other information you need to resolve the job dependencies are the `OutputReferences` in the...
A PR would be very welcome. And yes, agreed that we should have a document model for the job store document.
Hi @suqingdong, do you have a script you used to compile the initial list of impact factors? I'd be happy to re-run it if you're able to share it.
Just FYI, I have found this list here which seems to be up-to-date as of 2024 https://www.researchgate.net/publication/381580823_Journal_Citation_Reports_JCR_Impact_Factor_2024_PDF_Web_of_Science I think it should be possible to re-build the database from this.
One final update. This script will take the file above and reformat it properly for `impact_factor`. ```python import pandas as pd import re def get_factor(factor): try: return float(factor) except: return...
So currently, this doesn't actually require CHGNet to be installed I don't think. I.e., you can import this and overwrite those makers to get a MACE or M3GNet elastic constant...
Which task_id did you use? The issue is that some MP calculations didn't use a uniform k-point mesh. They used a custom code to generate the symmetry adapted mesh which...
Hi @96mat, Ifermi has not been tested with Python 3.12. Can you try with Python 3.11 instead?