Struct FactoredFrameGBlock 

pub struct FactoredFrameGBlock {
    pub atom_i: usize,
    pub atom_j: usize,
    pub g: Array2<f64>,
    pub w: Array2<f64>,
}

One co-occurring (atom_i, atom_j) block of the frame-factored data-fit Gauss–Newton β-Hessian (issue #972 / #977 T1). Carries the basis-space Gram g (m_i × m_j) AND the per-pair frame output factor w = U_iᵀ U_j (r_i × r_j); the contributed Hessian sub-block is the Kronecker product g ⊗ w.

Fields

atom_i: usize

Atom index of the row factor (selects rank r_i and β offset).

atom_j: usize

Atom index of the column factor (selects rank r_j and β offset).

g: Array2<f64>

Basis-space coupling G_{ij} (m_i × m_j).

w: Array2<f64>

Frame output factor U_iᵀ U_j (r_i × r_j). For i == j with an orthonormal frame this is I_{r_i} (the clean within-atom g ⊗ I_r collapse); across atoms it is the dense principal-angle cosine matrix between the two frames.

Trait Implementations

impl Clone for FactoredFrameGBlock

fn clone(&self) -> FactoredFrameGBlock

Returns a duplicate of the value.

fn clone_from(&mut self, source: &Self)

Performs copy-assignment from source.

impl Debug for FactoredFrameGBlock

fn fmt(&self, f: &mut Formatter<'_>) -> Result

Formats the value using the given formatter.