[−]Trait lumol::sim::md::Integrator
The Integrator
trait define integrator interface for molecular dynamics.
An integrator is an algorithm responsible for propagating the equations of
motion in the system.
Required methods
fn integrate(&mut self, system: &mut System)
Integrate the equations of motion. This is called at every step of the simulation.
Provided methods
fn setup(&mut self, &System)
Setup the integrator. This function is called once by every simulation run.