⚡ Bolt: Replace df.iterrows() with df.to_dict('records')

[alinelena]

💡 What

Replaced slow df.iterrows() calls in verify_processed_omol25.py and test_process_omol25.py with df.to_dict('records') conversions prior to executing list comprehensions.

🎯 Why

Iterating through a DataFrame via df.iterrows() wraps every single row iteration in a Pandas Series object. This repeated object allocation overhead causes dramatic slow downs in processing loops, especially on larger datasets. Converting to a list of standard dictionaries is far more efficient and avoids this bottleneck entirely.

📊 Impact

Significant reduction in processing time when loading data (specifically during DataFrame indexing), avoiding the expensive instantiation of numerous Pandas Series. Functionality and data integrity are perfectly maintained.

🔬 Measurement

Run python -m pytest on non-MPI tests to verify existing validations pass correctly. Run the verify_processed_omol25.py script on a large Parquet/ExtXYZ dataset and time its execution to notice a measurable speedup.

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PR created automatically by Jules for task 9059888790682986603 started by @alinelena

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