aiqm / torchani

Accurate Neural Network Potential on PyTorch
https://aiqm.github.io/torchani/
MIT License
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Use torch.div instead of // #615

Closed RMeli closed 2 years ago

RMeli commented 2 years ago

Fix #614 by using torch.div instead of //. This change is backward-compatible up to PyTorch 1.8, where the rounding_mode argument was introduced.

rounding_mode='trunc' preserves the original behavior of //.