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aiqm / torchani

Accurate Neural Network Potential on PyTorch
https://aiqm.github.io/torchani/
MIT License
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__floordiv__ is deprecated since PyTorch 1.9 #614

Closed RMeli closed 2 years ago

RMeli commented 2 years ago

torch.floor_divide has been deprecated in PyTorch 1.9 and it results in the following warning:

torchani/aev.py:236: UserWarning: __floordiv__ is deprecated, and its behavior will change in a future version of pytorch. It currently rounds toward 0 (like the 'trunc' function NOT 'floor'). This results in incorrect rounding for negative values. To keep the current behavior, use torch.div(a, b, rounding_mode='trunc'), or for actual floor division, use torch.div(a, b, rounding_mode='floor').
  pair_sizes = counts * (counts - 1) // 2