How-to Guides

Contents

• How to deal with long-running calculations

Also see the following how-to guides from the QuantumPropagators documentation:

• How to implement a new propagation method
• How to specify the spectral range for a Chebychev propagation
• How to define a parameterized control

How to deal with long-running calculations

For any calculation that runs for more than a couple of minutes, use the QuantumControl.run_or_load function. A particular case of a long-running calculation is a call to QuantumControl.optimize for a system of non-trivial size. For optimizations in particular, there is QuantumControl.@optimize_or_load that uses run_or_load around optimize, and stores the optimization result together with the (truncated) output from the optimization.

As an alternative to QuantumControl.run_or_load, you might also consider the use of the DrWatson package, which provides DrWatson.produce_or_load. It has a slightly more opinionated approach to saving and uses automatic file names based on parameters in a config data structure. In contrast, QuantumControl.run_or_load gives more control over the filename and does not force you to organize parameters in a config.