Enum PennInelastic 

pub enum PennInelastic {
    SinglePole(SinglePolePenn),
    Full(FullPenn),
    Mermin(MerminPenn),
}

One of the three models, built from one material’s optical ELF.

Variants

SinglePole(SinglePolePenn)

The single-pole model.

Full(FullPenn)

The full model.

Mermin(MerminPenn)

The Mermin-ELF model (a fit of oscillators).

Implementations

impl PennInelastic

pub fn new(algorithm: PennAlgorithm, elf: OpticalElf) -> Self

The model of algorithm for elf (Fermi energy zero, default tolerance). For PennAlgorithm::Mermin the oscillators are fitted with MerminFitOptions::default; use Self::try_new to handle a failed fit, or Self::mermin to choose the fit options.

Panics

Only for PennAlgorithm::Mermin, if the default fit fails (an ELF table too short for three oscillators, or an ELF that is zero).

pub fn try_new( algorithm: PennAlgorithm, elf: OpticalElf, ) -> Result<Self, ElectronDataError>

As Self::new, returning the error of a failed Mermin fit.

pub fn mermin( elf: OpticalElf, options: &MerminFitOptions, ) -> Result<Self, ElectronDataError>

The Mermin-ELF model with oscillators fitted to elf with options.

pub fn algorithm(&self) -> PennAlgorithm

Which algorithm this is.

pub fn optical_elf(&self) -> &OpticalElf

The optical ELF the model is built from.

pub fn with_fermi_energy_ev( self, fermi_ev: f64, ) -> Result<Self, ElectronDataError>

Set the Fermi energy, eV (see the two models).

pub fn fermi_energy_ev(&self) -> f64

The Fermi energy, eV (see the two models).

pub fn model_identity(&self) -> String

The identity string to record as the model of derived tables: the algorithm label, the nonrelativistic kinematics, the Fermi energy and the integration tolerance, e.g. penn-full; nonrelativistic; E_F = 0 eV; rel tol 1e-4. For the Mermin model the fitted oscillators follow the label (their parameters decide the table), e.g. mermin-melf (3 oscillators (A=...)).

pub fn diimfp_per_m_ev( &self, energy_ev: f64, loss_ev: f64, ) -> Result<f64, ElectronDataError>

The DIIMFP, m⁻¹ eV⁻¹ (see the two models).

pub fn imfp_and_stopping( &self, energy_ev: f64, ) -> Result<InelasticPoint, ElectronDataError>

The inverse IMFP and the stopping power at energy_ev.

pub fn tabulate( &self, energies_ev: &[f64], ) -> Result<Vec<InelasticPoint>, ElectronDataError>

IMFP and stopping power on a grid of energies.

Trait Implementations

impl Clone for PennInelastic

fn clone(&self) -> PennInelastic

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for PennInelastic

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

Formats the value using the given formatter.