VerletIntegrator
¶
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class VerletIntegrator : public OpenMM::Integrator¶
This is an Integrator which simulates a System using the leap-frog Verlet algorithm.
Public Functions
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explicit VerletIntegrator(double stepSize)¶
Create a VerletIntegrator.
- Parameters
stepSize – the step size with which to integrate the system (in picoseconds)
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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
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explicit VerletIntegrator(double stepSize)¶