MAE of energy in the training output

[tgmaxson]

As the loss function is built on the MAE of energy when using "PerAtomMSELoss", it would make more sense to output the MAE per atom in the standard out while training. Is there any way to output this via a setting or does this require some manual modification?

[nw13slx]

  - - total_energy
    - mae
    - PerAtom: True

Try this for the metric. See full.yaml for moredetails. And the loss function is by default on MSE, not MAE.