Creating NNP from scratch about n2p2 HOT 5 CLOSED

I updated the docs with some information about the training procedure, see here: https://compphysvienna.github.io/n2p2/Topics/training.html
Hope this helps for the moment, more is about to be added, please stay tuned...

from n2p2.

Hi Andreas,

That is so great you have updated that part of the manual. Thank you.
I think it would be also helpful if you can add a part for computing "normalization factors" of data set using "nnp-norm" module.

from n2p2.

Certainly, I will update the docs soon.. in the meantime I would like to direct you to the docs here and this publication, where you can find in Chapter 3.1 details about the normalization procedure.

from n2p2.

I added some documentation about the normalization.. about the tool nnp-norm and the training procedure. Please have a look and tell me if something is still unclear! Thanks!

from n2p2.

Hi Andreas,
Many thanks for keeping the documentation updated and complete. I think this part is clear, helpful, and understandable. I just think it would be appropriated if you could add a few sentences regarding scaling the mean_energy with respect to the reference atom energies. Like what is the purpose of that, what should user do, etc and maybe noting that no matter whether the atomic reference energies are defined or not, the results of training or prediction should be the same. That is just a suggestion.

Thanks again for such a great help and support.

Mostafa

from n2p2.