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compute_esp_grid_parallel

sci_form::esp::esp

Function compute_esp_grid_parallel 

Source 
pub fn compute_esp_grid_parallel(
    elements: &[u8],
    positions: &[[f64; 3]],
    mulliken_charges: &[f64],
    spacing: f64,
    padding: f64,
) -> EspGrid
Expand description

Compute ESP on a 3D grid using rayon parallelism.

Same as compute_esp_grid but evaluates grid points in parallel.