This series of workflows are writtin as a combination of instructions and tutorials. This software package is easy to use, but the underlying physics are not trivial. There are some deliberate barriers introduced as attempts to force a good understanding from the user. I am expecting limited success.

The minimal examples should be done first, that each deal with fundamental parts:

  1. Example 1: will get you started and plot some stuff.
  2. Example 2: basic MD input preparation.
  3. Example 3: stochastic input preparation.
  4. Example 4: free energy.
  5. Example 5: thermal conductivity.
  6. Example 6: properties as a function of temperature.

With that taken care, I plan to add proper examples of projects with production quality data. Dig up some old stuff I already published.