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Description

Briefly describe the purpose and content of this merge request. E.g. "Add structure generation constraints", or "Fix bug in energy parsing".

Checklist

Mark with x when complete, or ~ if not applicable.

  • I have read and followed the RAFFLE's contribution guidelines.
  • Code is commented appropriately, and API docstrings follow NumPy or FORD style.
  • ReadtheDocs documentation is added/updated (if applicable).
  • Unit tests are added/updated (if applicable).
  • Linked issue is resolved with a closes #XXXX reference (if applicable).