Restarting the training process

CompPhysVienna / n2p2

n2p2 - A Neural Network Potential Package

https://compphysvienna.github.io/n2p2/

GNU General Public License v3.0

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Restarting the training process #78

Closed moabe84 closed 3 years ago

moabe84 commented 3 years ago

Hi Andreas, Is it possible to restart the training procedure from a fitted nnp model in n2p2? I want to see if more epochs can improve the quality of the model.

Thanks, Mostafa

singraber commented 3 years ago

Hi,

yes this is possible by using the keyword use_old_weights_short in the input.nn file.

Best, Andreas

moabe84 commented 3 years ago

Many thanks Andreas. That is very helpful.

Best, Mostafa