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GediisConfig

omecp::gediis

Struct GediisConfig 

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pub struct GediisConfig {
    pub max_vectors: usize,
    pub variant: GediisVariant,
    pub sim_switch: f64,
    pub max_rises: usize,
    pub auto_switch: bool,
    pub ts_scale: f64,
    pub n_neg: usize,
}
Expand description

Configuration for GEDIIS optimizer.

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§max_vectors: usize

Maximum number of vectors to use

§variant: GediisVariant

GEDIIS variant to use

§sim_switch: f64

Switching threshold for RMS error (SimSw in Old Code)

§max_rises: usize

Maximum consecutive energy rises before interpolation

§auto_switch: bool

Whether to automatically switch variants

§ts_scale: f64

Scaling factor for TS search (SclDIS in Old Code)

§n_neg: usize

Number of negative eigenvalues (0=min, 1=TS)

Trait Implementations§

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impl Clone for GediisConfig

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fn clone(&self) -> GediisConfig

Returns a duplicate of the value. Read more
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fn clone_from(&mut self, source: &Self)

Performs copy-assignment from source. Read more
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impl Debug for GediisConfig

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

Formats the value using the given formatter. Read more
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impl Default for GediisConfig

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fn default() -> Self

Returns the “default value” for a type. Read more

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unsafe fn clone_to_uninit(&self, dest: *mut u8)

🔬This is a nightly-only experimental API. (clone_to_uninit)
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