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anufrievroman / freepaths

Monte Carlo simulator of phonon and heat transport in nanostructures
https://anufrievroman.gitbook.io/freepaths
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automatic parameter validity checks #14

Closed phigas closed 7 months ago

phigas commented 8 months ago

To improve the usability of the software certain parameters should be checked against the simulation after it finished. For example if the pixel size is smaller than one step of a phonon it could give a warning. Or if the timesteps are too short compared to the times the phonons need to travel through the structure.

Maybe there is even a way to give a clear measure of convergence.

phigas commented 8 months ago

Also a complete page on the wiki explaining the different config parameters and some context behind them would be very useful for new users

anufrievroman commented 7 months ago

Yes, there are some checks that happen in config.py before the simulation, but some useful feedback could be given after the simulation as well. By the way, I'll need to add some security check in the config.py to account for deprecated parameters and new parameters.

anufrievroman commented 7 months ago

I've added the post simulation parameter check to generate a few different warning, although I am not sure if too small pixels is really a problem.

phigas commented 7 months ago

I think we are already checking for the deprecated parameters. I added all those that i removed and some others i found. Good job with the post simulation checks. While having too small pixels is probably not too bad i think it's sill fine to keep the warning.

anufrievroman commented 7 months ago

Okay, I'll close this one for now. I'll address the convergence check in another error related issue.