Function generate_energy_surface_data 

fn generate_energy_surface_data(
    scan_results: &[ScanPointResult],
    output_file: &str,
) -> Result<(), Box<dyn Error>>

Generates energy surface data suitable for plotting.

This function creates data files in formats suitable for plotting programs like gnuplot, matplotlib, or other visualization tools.

Arguments

• scan_results - Collection of scan point results
• output_file - Path for the plotting data file

Returns

Returns Ok(()) on successful data file generation.