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SOF-6720: reformat qe_scf_calculation.ipynb
notebook
#80
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Check out this pull request on See visual diffs & provide feedback on Jupyter Notebooks. Powered by ReviewNB |
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3. We use post-save hooks to automatically convert notebooks to python scripts. See [config](examples/config.py) file for more information. In order to facilitate code review, we exclude notebook sources from version control and store them in Git LFS [[3](#links)]. Please follow this convention. | ||
3. We use post-save hooks to automatically convert notebooks to python scripts. See [config](examples/config.py) file for more information. In order to facilitate code review, we exclude notebook sources in the `other/` directory from version control and store them in Git LFS [[3](#links)]. Please follow this convention. |
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I think we discussed with @timurbazhirov that the Git LFS approach is not used for the notebook .ipynb files in the examples/
directory to facilitate the loading of the notebooks in Google Colab. I added a note about it here that it's applicable to the notebooks in the other/
directory.
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@pranabdas, @timurbazhirov, this is ready for review. I am still observing Error 500, but it can/should be resolved separately: ---------------------------------------------------------------------------
HTTPError Traceback (most recent call last)
[<ipython-input-5-10fdecc9a4a6>](https://localhost:8080/#) in <cell line: 1>()
----> 1 response = endpoint.create(BODY)
4 frames
[/usr/local/lib/python3.10/dist-packages/requests/models.py](https://localhost:8080/#) in raise_for_status(self)
958
959 if http_error_msg:
--> 960 raise HTTPError(http_error_msg, response=self)
961
962 def close(self):
HTTPError: 500 Server Error: Internal Server Error for url: [https://platform.mat3ra.com:443/api/2018-10-01/workflows/create](https://platform.mat3ra.com/api/2018-10-01/workflows/create) |
OK, let's bring over these updates to the other branch and see here #79 |
Small fixes:
pip-compile
qe_scf_calculation.ipynb
notebook withblack-jupyter