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@srmnitc srmnitc commented Dec 12, 2025

This pull request introduces several improvements and refactorings to the phase diagram preparation logic in calphy/phase_diagram.py, focusing on more robust handling of chemical compositions, validation of input data, and code modularity. It also adds a new utility function for reading structure compositions and comprehensive tests for this functionality.

@srmnitc srmnitc merged commit 3eec4b4 into main Dec 12, 2025
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@srmnitc srmnitc deleted the pd_fixes branch December 12, 2025 09:25
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2 participants