Separate post-run analysis about freepaths HOT 2 OPEN

One challenge with this are the timeframes. The information is put into the timeframes at runtime and so it would be difficult to chantge the timeframes after the run. I propose to use a high number of timeframes during the run so that they can be summed together into different lenghts at the plotting stage. The TC calculation would then also fall into the plotting stage.

from freepaths.

Yes, that's precisely my current vision. Let's say we always have NUMBER_OF_TIMEFRAMES, which is supposed to be about 10 or so. And all profiles for each timeframe are saved. Then, we can do all:

• Show the convergence
• Output thermal conductivity calculated over last N timeframes, plus some uncertainty
• Recalculate the thermal conductivity afterward for different N if needed.

from freepaths.