Module gosh_elastic::elastic

elastic energy and force

For computing the energy and force of a center node for elastic connections with its immediate neighbors.

Example

// build connections
let mut connections = vec![];
let pi: Vector3f = positions[i].into();
for j in 0..n {
    let pj: Vector3f = positions[j].into();
    let displace = pj - pi;
    let rij = displace.norm();
    let spring = Spring::new(rij.powi(-2)).with_length(rij);
    let connect = Connection::new(spring, displace);
    connections.push(connect);
}
 
// compute energy and force for center node i
let (e, f) = compute_elastic_contribution(connections);

Functions

compute_elastic_contribution

Compute elastic energy and force contribution of a center node from its elastic connections with its neighbors

compute_elastic_energy_and_force_distance_space

Compute elastic energy/force between image 1 in position1 and image 2 in positions2