Function wafer::grid::orthogonalise_wavefunction

fn orthogonalise_wavefunction(
    wnum: u8, 
    w: &mut Array3<R64>, 
    w_store: &[Array3<R64>]
)

Uses Gram Schmidt orthogonalisation to identify the next excited state's wavefunction, even if it's degenerate

Arguments

• wnum - Current exited state value.
• w - Current, active wavefunction array.
• w_store - Vector of currently converged wavefunctions.