Controlling how frequently to write output

To control the output written to files we use the Simulation method SetOutputScheduling. By default there are two ``output managers'': ``energies'' and ``trajectory''. The first is for the files containing potential/kinetic energies and other global quantities, while the second is for trajectories (configuration files containing the particle positions at different times during the run). The write-schedule for either manager can be evenly-spaced in time (``linear''), logarithmic (``logarithmic''), or a kind of combination of the two (``loglin''). Examples of controlling scheduling include

  sim.SetOutputScheduling( "energies", "linear", interval=50)
  sim.SetOutputScheduling( "energies", "none" )
  sim.SetOutputScheduling( "trajectory", "logarithmic" )
  sim.SetOutputScheduling( "trajectory", "loglin", base=4, maxInterval=64 )

The first causes energies to be output equally spaced (linear) in time, once every 50 time steps, while the second turns energy writing off. The third will cause logarithmic saving of configurations (where the interval between saves doubles each time within a ``block'', starting with 1. The fourth does logarithmic saving starting with interval 4 until the interval 64 is reached, after which the interval stays fixed at 64 until the end of the block. The details of log-lin are described in a separate document. By default energies are linear, written every 256 steps, and trajectories are logarithmic.

Heine Larsen 2017-07-21