Adapt parse_nd_scan_energies() to a slightly different Gaussian 2D scan format #6344
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Your workflow is using a version of actions/cache that is scheduled for deprecation, actions/cache@v2. Please update your workflow to use either v3 or v4 of actions/cache to avoid interruptions. Learn more: https://github.blog/changelog/2024-12-05-notice-of-upcoming-releases-and-breaking-changes-for-github-actions/#actions-cache-v1-v2-and-actions-toolkit-cache-package-closing-down
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ubuntu-latest pipelines will use ubuntu-24.04 soon. For more details, see https://github.com/actions/runner-images/issues/10636
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Set up miniconda
/home/runner/miniconda3/lib/python3.12/site-packages/conda/base/context.py:201: FutureWarning: Adding 'defaults' to channel list implicitly is deprecated and will be removed in 25.3.
To remove this warning, please choose a default channel explicitly with conda's regular configuration system, e.g. by adding 'defaults' to the list of channels:
conda config --add channels defaults
For more information see https://docs.conda.io/projects/conda/en/stable/user-guide/configuration/use-condarc.html
deprecated.topic(
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