Trait ElectronDensity 

pub trait ElectronDensity: Sync {
    // Required methods
    fn density(&self, r: f64) -> f64;
    fn density_source(&self) -> String;
}

Atomic electron density, the input the corrections need beyond the potential.

Required Methods

fn density(&self, r: f64) -> f64

Electron number density at radius r bohr, electrons per bohr^3 (>= 0).

fn density_source(&self) -> String

Where the density comes from (recorded in the result metadata).

Dyn Compatibility

This trait is dyn compatible.

In older versions of Rust, dyn compatibility was called "object safety".

Implementors

impl ElectronDensity for SalvatDhfs

Poisson density of the analytic screening function, Salvat et al. (1987) Eq. (12): rho(r) = (Z/(4 pi r)) sum_i A_i alpha_i^2 exp(-alpha_i r), summed over the terms in use (two for the asterisked, A_3 = 0 rows of Table I).

impl ElectronDensity for Yukawa

Poisson density of V = -Z exp(-r/a)/r (the one-term case of Salvat et al. (1987) Eq. (12)): rho = Z exp(-r/a)/(4 pi a^2 r). A fixture density.