Struct TriangularMatrix 

pub struct TriangularMatrix {
    data: Vec<f64>,
    size: usize,
}

Lower triangular matrix storage for DIIS overlap matrix.

Stores elements in packed format: [A(1,1), A(2,1), A(2,2), A(3,1), …]

Fields

data: Vec<f64>

Packed storage for lower triangular elements

size: usize

Matrix dimension

Implementations

impl TriangularMatrix

pub fn new(size: usize) -> Self

Creates a new triangular matrix of given size.

pub fn size(&self) -> usize

Returns the matrix dimension.

fn index(&self, i: usize, j: usize) -> usize

Converts (i, j) indices to packed storage index.

pub fn get(&self, i: usize, j: usize) -> f64

Gets element at (i, j).

pub fn set(&mut self, i: usize, j: usize, value: f64)

Sets element at (i, j).

pub fn multiply_vector(&self, x: &[f64]) -> Vec<f64>

Multiplies matrix by vector: y = A * x

Panics

Panics if vector length doesn’t match matrix size.

pub fn scale(&mut self, factor: f64)

Scales all elements by a factor.

pub fn copy_from(&mut self, other: &TriangularMatrix)

Copies elements from another triangular matrix.

pub fn extend(&mut self)

Extends matrix by one row/column, copying existing elements.

Trait Implementations

impl Clone for TriangularMatrix

fn clone(&self) -> TriangularMatrix

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for TriangularMatrix

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

Formats the value using the given formatter.