Trait UpdateNetForceVirialAndTorque 

pub trait UpdateNetForceVirialAndTorque<E> {
    // Required method
    fn update_net_force_virial_and_torque(&mut self, interaction_model: &E);
}

Compute the net force, virial, and torque given by an interaction model and apply them to each body in the microstate.

Given an interaction model that implements NetBodyForceVirialAndTorque, UpdateNetForceVirialAndTorque sets the NetForce, NetVirial and NetTorque properties of each body in the microstate to the ones computed by the interaction model.

Example

use hoomd_interaction::{
    PairwiseCutoff, Rigid, pairwise::Isotropic, univariate::LennardJones,
};
use hoomd_md::UpdateNetForceVirialAndTorque;
use hoomd_microstate::{
    Body, Microstate,
    property::{DynamicOrientedPoint, Point},
};
use hoomd_vector::{Angle, Cartesian};

let mut microstate: Microstate<
    DynamicOrientedPoint<Cartesian<2>, Angle>,
    Point<Cartesian<2>>,
    _,
    _,
> = Microstate::builder()
    .bodies([
        Body::single_site(
            DynamicOrientedPoint {
                position: Cartesian::<2>::from([0.0, -1.0]),
                ..Default::default()
            },
            Point::new([0.0, 1.0].into()),
        ),
        Body::single_site(
            DynamicOrientedPoint {
                position: Cartesian::<2>::from([2.0, -2.0]),
                ..Default::default()
            },
            Point::new([0.0, 2.0].into()),
        ),
    ])
    .try_build()?;

let lennard_jones = LennardJones::<12, 6>::default();
let pairwise_cutoff = PairwiseCutoff(Isotropic {
    interaction: lennard_jones,
    r_cut: 2.5,
});
let rigid = Rigid(pairwise_cutoff);

microstate.update_net_force_virial_and_torque(&rigid);

Required Methods

fn update_net_force_virial_and_torque(&mut self, interaction_model: &E)

Compute and set the net force, virial, and torque on each body.

Implementations on Foreign Types

impl<V, B, S, X, C, E> UpdateNetForceVirialAndTorque<E> for Microstate<B, S, X, C>

where V: Default + Vector + Wedge + Outer + Send, V::Tensor: Copy + Send, V::Bivector: Copy + Send, B: NetForce<NetForce = V> + NetVirial<NetVirial = V::Tensor> + NetTorque<NetTorque = V::Bivector> + Sync, S: Sync, X: Sync, C: Sync, E: NetBodyForceVirialAndTorque<B, S, X, C, Force = V> + Sync,

fn update_net_force_virial_and_torque(&mut self, interaction_model: &E)

Implementors