Simulation

The simulation is build up from minor and major timesteps.

The major timestep is an abstraction. The program internally builds up the major timesteps through a series of minor timesteps.

In principle a simulation consists of 3 phases: initialization, equilibration and production.

At the initialization, a configuration is generated or read from a file.

The system is then equilibrated by propagation in time. For KMC there is usually no equilibration.

When the system has equilibrated, the production phase starts. Data are stored on disk when the production phase starts and then after each major timestep.

1. Stochastic simulation
2. Deterministic simulation