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@cecizag cecizag commented Jul 2, 2025

This PR introduces support for parsing NMR and EFG data from QE-GIPAW output files in the Quantum ESPRESSO parser. The implementation uses child_archives, as previously discussed with Andrea Albino and @Sathya-S3.

At the time of development, the Quantum ESPRESSO parser did not yet include get_mainfile_keys or support for child_archives, so I implemented this functionality independently in my fork.

However, I recently noticed that child_archives support has since been added by @ladinesa. I’d like to align this PR with the recent changes to avoid conflicts and ensure both implementations work correctly.

Since I haven’t yet managed to trigger the new child_archives logic in a test upload, I’d appreciate input from the team to coordinate the merge and clarify how best to integrate both approaches.

Looking forward to your feedback.

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