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@srmnitc srmnitc commented Dec 15, 2025

This pull request updates the version to 1.4.7 and significantly refactors the composition transformation logic to use element names (symbols) instead of numeric types throughout the calphy/composition_transformation.py module. The changes improve clarity, robustness, and correctness of atom mapping and transformation, especially for systems with complex or edge-case compositions.

@srmnitc srmnitc merged commit 09252ad into main Dec 15, 2025
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@srmnitc srmnitc deleted the fix_cs branch December 15, 2025 14:17
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2 participants