Janosh Riebesell
Janosh Riebesell
The website doesn't display non-stoichiometric compositions correctly:  I modified the first period following `Mn`: ```html - 4.264 + 4.264 ``` to render correctly....
Besides the file upload area, it would be nice if POSCAR and CIF files could be copy-pasted into a [text area](https://developer.mozilla.org/en-US/docs/Web/HTML/Element/textarea). 
The `symmetry` field (formerly `spacegroup`) used to be associative, meaning if I only want the spacegroup number or just the symbol from ``` SymmetryData(crystal_system=, symbol='Pnma', number=62, point_group='mmm', symprec=0.1, version='1.16.2') ```...
Why UUIDs?
I was looking at a wall of job IDs like this earlier and wondering if `jobflow` actually requires full 36-character UUIDs? > PhononUUIDs(optimization_run_uuid='cc10cd4d-944d-43b1-9651-2e168765c02e', displacements_uuids=['c29abb65-a8e5-47ff-a6d6-6776cd8e4095', 'e2e07788-daed-4201-921b-ec2e57c802c4', 'bf443b3d-6334-4b04-8f8a-29fabc08c37e', '23c36a18-4066-4047-a553-aa9fe2afa714', '81134dc7-a88f-486a-af3b-ddd9c1ba3eb1', '1009897b-a97c-4d4a-9cac-e952766b9608', '15015ddf-7967-410d-8fef-13642d7bd9e5',...
Is the `ValueEnum` the same thing as [`StrEnum`](https://docs.python.org/3/library/enum.html#enum.StrEnum) added into Python 3.11+ std lib? https://github.com/materialsproject/jobflow/blob/beb78b12d3a55ce48166026887dfaa5758a67739/src/jobflow/utils/enum.py#L6-L16 If so we could replace with `ValueEnum` with `StrEnum` in ~2 years. Feel free to...
### What's the problem this feature will solve? Current report > Files removed: 364 is a bit meaningless. ### Describe the solution you'd like Much more interesting to see how...
Adding an `updatemenu` button to toggle the legend, the button shifts to the left on 2nd click under certain conditions. https://user-images.githubusercontent.com/30958850/151654960-7786bdbb-3949-44a2-922a-a9e4cb045629.mp4 **Minimal Example** ```py import plotly.express as px df =...
Looks like the `zotero.citeMethod` setting mentioned in the readme and [changelog](https://github.com/bnavetta/vscode-zotero-latex/blob/master/CHANGELOG.md#030---2019-03-02) isn't actually implemented yet or am I missing something? If so, what would be the options? One of `"cayw"`...
Copied from VS Code JSON settings defaults: ```json // Automatically open the preview when an svg file is opened. "svgPreview.autoOpen": true, ```
**Describe the bug** v0.6.0 is raising ```py packaging.version.InvalidVersion: Invalid version: '' ``` in [atomate2 CI](https://github.com/materialsproject/atomate2/actions/runs/9045715286/job/24855741891) stack trace ```py File "/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/atomate2/forcefields/md.py", line 333, in calculator return ase_calculator(self.force_field_name, **self.calculator_kwargs) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/atomate2/forcefields/utils.py",...