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MinimizeConfig

chematic_3d::minimize

Struct MinimizeConfig 

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pub struct MinimizeConfig {
    pub max_steps: usize,
    pub step_size: f64,
    pub convergence: f64,
    pub force_field: ForceField,
}
Expand description

Configuration for the minimization algorithm.

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§max_steps: usize

Maximum number of gradient-descent steps.

§step_size: f64

Base step size for coordinate updates (scaled by max gradient).

§convergence: f64

Convergence threshold: stop when max gradient component < this value.

§force_field: ForceField

Force field to use for energy calculation.

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impl Default for MinimizeConfig

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fn default() -> Self

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

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