Struct CheckpointLoad 

pub struct CheckpointLoad {
    pub step: usize,
    pub geometry: Geometry,
    pub x_old: DVector<f64>,
    pub hessian: DMatrix<f64>,
    pub opt_state: OptimizationState,
    pub config: Config,
}

Loaded checkpoint contents returned by Checkpoint::load.

This struct contains the fully reconstructed runtime types converted from the serialized Checkpoint representation. It includes everything required to resume an optimization: the step counter, the molecular geometry, previous coordinates used for gradient differences, the current approximate Hessian, the optimization state (with DIIS/history structures), and the calculation configuration.

Fields

step: usize

Optimization step number at the time of saving.

geometry: Geometry

Molecular geometry reconstructed from the checkpoint.

x_old: DVector<f64>

Previous geometry coordinates (flattened) used for finite differences.

hessian: DMatrix<f64>

Hessian matrix (approximate) reconstructed as a nalgebra DMatrix.

opt_state: OptimizationState

Optimization state including history, lambdas, and other runtime data.

config: Config

Calculation configuration used when the checkpoint was created.