function position_based_fluids¶
- deeptime.data.position_based_fluids(n_burn_in=5000, initial_positions=None, n_jobs=None)¶
Creates a position based fluids (PBF) simulator. It was introduced in [1]. Up to numerics the simulation is deterministic.
The simulation box has dimensions \([-40, 40]\times [-25, 25]\) and the initial positions of the particles are around the top boundary of the box. For simplicity of use, the initial positions are fixed in this method and yield 972 particles. For custom positioning, please use the simulator directly.
The interaction distance is set to \(d = 1.5\) and n_burn_in steps are performed to equilibrate the system before returning the simulator.
For more details see
PBFSimulator.(Source code, png, hires.png, pdf)
- Parameters:
n_burn_in (int, default=5000) – Number of steps without any drift force to equilibrate the system.
initial_positions (ndarray, optional, default=None) – Explicit initial positions, optional.
n_jobs (int or None, default=None) – Number of threads to use for simulation.
- Returns:
simulator – The PBF simulator.
- Return type:
References
