Enum CosineCheckMode 

pub enum CosineCheckMode {
    None,
    Zero,
    Standard,
    Variable,
    Strict,
}

Cosine check mode for GDIIS validation.

Controls how the GDIIS step is validated against the last error vector.

Variants

None

No cosine check (ICos=0)

Zero

CosLim = 0.0 (ICos=1)

Standard

CosLim = 0.71 (ICos=2)

Variable

Variable CosLim based on number of vectors used (ICos=3)

Strict

CosLim = √3/2 ≈ 0.866 (ICos≥4)

Trait Implementations

impl Clone for CosineCheckMode

fn clone(&self) -> CosineCheckMode

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for CosineCheckMode

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

Formats the value using the given formatter.

impl Default for CosineCheckMode

fn default() -> CosineCheckMode

Returns the “default value” for a type.

impl PartialEq for CosineCheckMode

fn eq(&self, other: &CosineCheckMode) -> 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 Copy for CosineCheckMode

impl Eq for CosineCheckMode

impl StructuralPartialEq for CosineCheckMode