2.3.0

Overview

This release focuses on richer SED visualization controls, partial SED analysis, and improved structure/trajectory handling for better input compatibility and reproducibility.

✨ New
Partial SED output and plotting by atom type and Cartesian direction, enabling more granular analysis. (#39)

🎨 Visualization
New input tags to control SED colormap and colorbar range for clearer plots. (#29, #30)

⚡ Performance
Trajectory compression is faster, improving preprocessing for large datasets. (#40)

🧩 Compatibility & Fixes
Added support for reading .xyz structure files. (#28)
Fixed atomic order consistency between generated LAMMPS data and POSCAR. (#27)