Changelog¶

All notable changes to ASCICat are documented here.

[1.0.0] - 2025-01-15¶

Initial Release¶

Features:

• Core ASCI calculation framework
• Support for HER and CO2RR reactions (CO, CHO, COCOH pathways)
• Linear and Gaussian activity scoring methods
• Comprehensive sensitivity analysis
• High-quality visualizations (600 DPI)
• Interactive 3D Plotly plots
• Command-line interface
• Graphical user interface

Documentation:

• Complete API documentation
• User guide with tutorials
• Example scripts
• Jupyter notebook tutorials

[Unreleased]¶

Planned Features¶

• Additional reactions (OER, ORR, NRR)
• Machine learning integration
• Database connectors (Materials Project, AFLOW)
• Uncertainty quantification
• Web application

Version History¶

Deprecation Policy¶

• Features deprecated in version X.Y will be removed in X+1.0
• Deprecation warnings will be issued for at least one minor version
• Migration guides provided for breaking changes