forceCalculator->compute(
simulationState.coordinates(), simulationState.box(), simulationState.forces());
- listedForceCalculator.compute(simulationState.coordinates(), simulationState.forces());
+ listedForceCalculator.compute(
+ simulationState.coordinates(), simulationState.forces(), gmx::ArrayRef<real>{});
// Integrate with a time step of 1 fs, positions, velocities and forces
integrator.integrate(