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build_extended_grid

Function build_extended_grid 

Source
pub fn build_extended_grid(
    data_energies: &[f64],
    resolution: Option<&ResolutionParams>,
    resonances: &[(f64, f64)],
) -> (Vec<f64>, Vec<usize>)
Expand description

Build an extended energy grid with boundary extension and resonance fine-structure for resolution broadening.

Returns (extended_energies, data_indices) where:

  • extended_energies is sorted ascending and includes all data_energies
  • data_indices[i] is the index of data_energies[i] in extended_energies

When data_energies has fewer than 2 points or resolution is None, returns a copy of the data grid with identity indices.

§Arguments

  • data_energies — Experimental energy grid (sorted ascending, eV).
  • resolution — Resolution parameters (for computing boundary width).
  • resonances — (energy_eV, gd_eV) pairs for fine-structure densification. gd = 0.001 * Σ|Γ_i| is the resonance half-width parameter from SAMMY’s Fspken convention.

§SAMMY Reference

dat/mdat4.f90 Escale+Fspken+Add_Pnts, dat/mdata.f90 Vqcon