SimulationInput module

class SimulationInput.SimulationSettings(num_steps, potential, integrator, ensemble, sample_nn)[source]

Bases: object

Parameters:
  • num_step ((int)) – Number of steps in the simulation

  • potential ((Potential)) – Potenial object defining the interaction potential

  • integrator ((Integrator)) – Integrator object defining how the system should be integrated through time

  • num_steps (int)

  • ensemble (str)

  • sample_nn (bool)