VerletIntegrator

class VerletIntegrator : public OpenMM::Integrator

This is an Integrator which simulates a System using the leap-frog Verlet algorithm.

Public Functions

explicit VerletIntegrator(double stepSize)

Create a VerletIntegrator.

Parameters

stepSize – the step size with which to integrate the system (in picoseconds)

virtual void step(int steps)

Advance a simulation through time by taking a series of time steps.

Parameters

steps – the number of time steps to take