[−]Trait lumol::BondPotential
Marker trait for potentials that can be used for molecular bonds.
Example
use lumol_core::energy::{Potential, BondPotential}; // A no-op potential #[derive(Clone)] struct Null; impl Potential for Null { fn energy(&self, x: f64) -> f64 {0.0} fn force(&self, x: f64) -> f64 {0.0} } // Now we can use the Null potential for bonds impl BondPotential for Null {}
Provided methods
fn virial(&self, r: &Vector3D) -> Matrix3
Compute the virial contribution corresponding to the distance r
between the particles.