A potential bug for determining time steps to be sampled

[keiyamamo]

Hi @hkjeldsberg

If I understand correctly, save_frequency is the time step frequency used during the simulation, while step is how often you want to save the outputs.

VaMPy/src/vampy/automatedPostprocessing/compute_flow_and_simulation_metrics.py

Line 44 in 6c6468a

saved_time_steps_per_cycle = int(T / dt / save_frequency / step)

Here, saved_time_steps_per_cycle is divided by both save_frequency and step, but shouldn’t it be only save_frequency?