aiqm / torchani

Accurate Neural Network Potential on PyTorch
https://aiqm.github.io/torchani/
MIT License
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Provide better error message when the dataset is empty #498

Closed zasdfgbnm closed 3 years ago

zasdfgbnm commented 4 years ago

It is not the first time that I hear users complaining that the subtract_self_energies is reporting incorrect shape, and this is usually caused by a corrupted dataset. To provide better error message, we should check for empty list inside subtract_self_energies, and raise an error with an informative message.

IgnacioJPickering commented 3 years ago

Fixed in #550