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evaluate_displacements_parallel

Function evaluate_displacements_parallel 

Source
pub fn evaluate_displacements_parallel<F>(
    displacements: &[Vec<[f64; 3]>],
    energy_fn: F,
) -> Vec<f64>
where F: Fn(&[[f64; 3]]) -> f64 + Sync,
Expand description

Batch-evaluate energies for displaced geometries using parallel CPU.

energy_fn: closure that computes energy for a given geometry. displacements: list of displaced geometries.