Struct AtomicElasticRow 

pub struct AtomicElasticRow { /* private fields */ }

Partial-wave results of one element at one energy, with the DCS in exact Legendre form (see the module docs). Cross sections in bohr².

Implementations

impl AtomicElasticRow

pub fn from_partial_waves(energy_ev: f64, pw: &PartialWaves) -> Self

Build from converged partial waves at energy_ev.

pub fn solve( pot: &dyn ScreenedPotential, energy_ev: f64, opts: SolverOptions, ) -> Result<Self, ElasticError>

Solve at one energy.

pub fn energy_ev(&self) -> f64

Kinetic energy, eV.

pub fn l_max(&self) -> usize

Highest partial wave of the solve.

pub fn sigma_el(&self) -> f64

The solver’s total elastic cross section (PartialWaves::sigma_el), bohr².

pub fn sigma_tr1(&self) -> f64

The solver’s first transport cross section (PartialWaves::sigma_tr1), bohr².

pub fn legendre_coefficients(&self) -> &[f64]

Legendre coefficients c_L of the DCS, bohr²/sr.

pub fn dcs(&self, theta: f64) -> f64

DCS at polar angle theta (rad) from the Legendre form, bohr²/sr.

pub fn cumulative(&self, theta: f64) -> f64

Cumulative cross section S(θ) = 2π ∫_0^θ DCS sin θ' dθ', bohr².

pub fn cumulative_total(&self) -> f64

S(π) = 4π c_0, the total of the Legendre form, bohr². Equal to Self::sigma_el up to the solver’s quadrature-vs-phase-shift rounding.

Trait Implementations

impl Clone for AtomicElasticRow

fn clone(&self) -> AtomicElasticRow

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for AtomicElasticRow

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

Formats the value using the given formatter.

impl PartialEq for AtomicElasticRow

fn eq(&self, other: &AtomicElasticRow) -> bool

Equality operator ==.

fn ne(&self, other: &Rhs) -> bool

Inequality operator !=.

impl StructuralPartialEq for AtomicElasticRow