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Build # 26756880696

Build Type

Pull #177

github

Committed by ndaelman-hu

Commit Message

Simplify parser to use SelfConsistency flexible_unit pattern

Update FHI-aims parser to leverage the new SelfConsistency schema with
flexible_unit=True. Eliminates inelegant string formatting workaround.

Changes:
- Remove magnitude/unit extraction logic from transformer functions
- Pass pint Quantities directly to `threshold_change` field
- Remove `threshold_change_unit` assignments (field removed from schema)
- Update test assertions to check pint Quantity fields:
  - `threshold_change.magnitude` for numeric value
  - `threshold_change.units` for unit (electron_volt)
  - Density remains dimensionless (plain float)

Benefits:
- Cleaner code: eliminated ~15 lines of string manipulation
- Type-safe: pint validates units automatically
- Consistent: matches WorkflowConvergenceTarget pattern

All tests pass.

Pull Request Pull Request #177: Add FHI-aims SCF convergence criteria extraction

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70 of 80 new or added lines in 2 files covered. (87.5%)

7674 of 10345 relevant lines covered (74.18%)

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