Integrators

class mdk::Integrator : public mdk::SimulVar

An integrator object; after the forces have been computed, it takes the forces and adjusts the positions, velocities etc.

Subclassed by mdk::LangPredictorCorrector, mdk::Leapfrog

Public Functions

virtual void bind(Simulation &simulation) override

Bind an object to a simulation.

Parameters

simulation – Simulation to bind the object to.

virtual void init() = 0

Initialize the state of the integrator.

virtual void integrate() = 0

Protected Attributes

State *state = nullptr

Integrator instances:

• Leapfrog integrator
• Predictor-corrector integrator with Langevin noise