AQWA Module (+2)
AQWA Module
# (Uses existing AQWA CLI if available)
BEMRosetta Module
bemrosetta convert analysis.LIS -o ./output
bemrosetta convert analysis.LIS --qtf analysis.QTF -o ./output
bemrosetta info analysis.LIS
bemrosetta validate analysis.LIS --strict --causality
bemrosetta convert-mesh hull.gdf -o hull.stl
bemrosetta status
Diffraction Module
# Batch processing
python -m digitalmodel.diffraction.batch_processor config.yml