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aiqm / torchani

Accurate Neural Network Potential on PyTorch
https://aiqm.github.io/torchani/
MIT License
461 stars 127 forks source link

Fixed: symeig deprication #627

Closed kfir4444 closed 1 year ago

kfir4444 commented 1 year ago

This PR fixes an issue with torch.symeig, which is now deprecated. Instead, it is suggested to work with torch.linalg.eigh

kfir4444 commented 1 year ago

Thanks for the comments @yueyericardo, they are fixed and ready for another review 😄