FAIRmat-NFDI / nomad-ml-workflows / 34364987231

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Mlip data export (#81)

* init

* added atoms extraction and writing functionality

* use configs from main pkg

* change dep pkg name

* Apply batched suggestions from code review

Co-authored-by: Copilot Autofix powered by AI <175728472+Copilot@users.noreply.github.com>

* lining fix + import error fix

* review changes and action rename

* update pyproject.toml

* Update src/nomad_ml_workflows/actions/export_forces/utils.py

Co-authored-by: Sarthak Kapoor <57119427+ka-sarthak@users.noreply.github.com>

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Co-authored-by: Copilot Autofix powered by AI <175728472+Copilot@users.noreply.github.com>
Co-authored-by: Sarthak Kapoor <57119427+ka-sarthak@users.noreply.github.com>

12 of 17 new or added lines in 2 files covered. (70.59%)

1450 of 1837 relevant lines covered (78.93%)

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