Struct SpectrumOptions 

#[non_exhaustive]
pub struct SpectrumOptions {
    pub frequencies: Vec<f64>,
    pub reference_energy: f64,
    pub broadening: f64,
    pub krylov_dimension: usize,
    pub tolerance: f64,
}

Frequency grid and Lanczos controls for broadened spectral functions.

Fields (Non-exhaustive)

Non-exhaustive structs could have additional fields added in future. Therefore, non-exhaustive structs cannot be constructed in external crates using the traditional Struct { .. } syntax; cannot be matched against without a wildcard ..; and struct update syntax will not work.

frequencies: Vec<f64>

Frequencies at which the response is evaluated.

reference_energy: f64

Reference-state energy subtracted from the resolvent.

broadening: f64

Positive Lorentzian broadening.

krylov_dimension: usize

Maximum Krylov dimension.

tolerance: f64

Continued-fraction termination tolerance.

Implementations

impl SpectrumOptions

pub fn new( frequencies: impl Into<Vec<f64>>, reference_energy: f64, broadening: f64, ) -> Self

Construct spectral-function controls for a frequency grid.

pub fn with_krylov_dimension(self, dimension: usize) -> Self

Set the maximum Krylov dimension.

pub fn with_tolerance(self, tolerance: f64) -> Self

Set the continued-fraction termination tolerance.

Trait Implementations

impl Clone for SpectrumOptions

fn clone(&self) -> SpectrumOptions

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for SpectrumOptions

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

Formats the value using the given formatter.

impl PartialEq for SpectrumOptions

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

Tests for self and other values to be equal, and is used by ==.

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

Tests for !=. The default implementation is almost always sufficient, and should not be overridden without very good reason.

impl StructuralPartialEq for SpectrumOptions