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SitePairForceVirialAndTorque

Trait SitePairForceVirialAndTorque 

Source
pub trait SitePairForceVirialAndTorque<S> {
    type Force: Wedge + Outer;

    // Required method
    fn site_pair_force_virial_and_torque(
        &self,
        site_properties_i: &S,
        site_properties_j: &S,
    ) -> (Self::Force, <Self::Force as Outer>::Tensor, <Self::Force as Wedge>::Bivector);
}
Expand description

Compute the pairwise force, virial, and torque on one site from another site.

The SitePairForceVirialAndTorque trait describes a type that can compute the force, virial, and torque on a site by another site as a function of the two sites’ properties.

The pairwise module provides a number of commonly used implementations. Combine them with PairwiseCutoff newtype for use with MD simulations.

The generic type names are:

Required Associated Types§

Source

type Force: Wedge + Outer

The type of the result force.

Required Methods§

Source

fn site_pair_force_virial_and_torque( &self, site_properties_i: &S, site_properties_j: &S, ) -> (Self::Force, <Self::Force as Outer>::Tensor, <Self::Force as Wedge>::Bivector)

Evaluate the force, torque, and virial on site i caused by site j.

Implementors§