fips_md::runtime

Struct InteractionDetails

Source 
pub struct InteractionDetails {
    pub num_workers: usize,
    pub skin_factor: f64,
    pub cell_size: Option<f64>,
    pub rebuild_interval: usize,
}

Fields§

§num_workers: usize

Number of worker threads for neighbor list construction

§skin_factor: f64

Skin factor (this factor is multiplied to the cutoff region to guarantee the correctness of the neighbor list for more than one tick)

§cell_size: Option<f64>

Explicit cell size

§rebuild_interval: usize

The neighbor list is rebuild after this number of time steps

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