hippynn
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lanl
python library for atomistic machine learning
PyTorch is depreciating the argument 'verbose' in the ReduceLROnPlateau function. The HIPPYNN function RaiseBatchSizeOnPlateau will need to be updated to avoid using this argument when calling ReduceLROnPlateau.
For reference: ```python # Assuming fij and atom_energy are tensors and data is an object with an eatoms attribute if return_device == "cpu": # Convert tensors to numpy arrays if...
Using hippynn via mliap causes script to fail: ``` Setting up Verlet run ... Unit style : metal Current step : 0 Time step : 0.001 Traceback (most recent call...
@yingwaili requests that we do the training in such away that restarting the model is basically automated. Maybe we can have some function to write a restart script in the...
Also includes minor changes to examples