Migrate a lot of the plotting functionality to Plotly and wrap it in a matplotlib-like GUI. This work has started, an example of this transition can be found here & here. ✅
Update structure figures to use Jmol colour palette. Correct atom colours are coming soon!
Move compute-heavy / memory-intensive functions to Rust for better performance.
Add more interaction types, e.g., cooperative energy transfer and other more complex energy transfer processes.
Add geometric correction factors and shield factors for various crystal structures and ions [2].
Add alternative to Monte Carlo methods e.g. the shell model(performance vs accuracy tests required). If successful, the shell model could improve performance greatly [3,4].
Move docs to MDbook for continuous integration.
Optional open-source database where results can be stored, retrieved, and rated based on data quality and fit, much like the ICCD crystallography database.
Add more tests; this will be important as the project grows and other users want to add features.