Struct SolverOptions 

pub struct SolverOptions {
    pub matching_threshold: f64,
    pub phase_tolerance: f64,
    pub consecutive: usize,
    pub step_scale: f64,
    pub max_l: usize,
    pub light_speed: f64,
}

Numerical settings of the solver.

Fields

matching_threshold: f64

Matching radius criterion: |r V(r)| < threshold (hartree bohr).

phase_tolerance: f64

A partial wave is “small” when |delta| < phase_tolerance (rad).

consecutive: usize

Number of consecutive small partial waves that ends the series.

step_scale: f64

Radians of local phase per integrator step (smaller is more accurate).

max_l: usize

Safety cap on l.

light_speed: f64

Speed of light, atomic units. Defaults to 1/alpha; the non-relativistic limit is c -> infinity.

Trait Implementations

impl Clone for SolverOptions

fn clone(&self) -> SolverOptions

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Copy for SolverOptions

impl Debug for SolverOptions

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

Formats the value using the given formatter.

impl Default for SolverOptions

fn default() -> Self

Returns the “default value” for a type.

impl PartialEq for SolverOptions

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

Equality operator ==.

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

Inequality operator !=.

impl StructuralPartialEq for SolverOptions