Fixed: symeig deprication #627
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kfir4444
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yueyericardo,
IgnacioJPickering and
farhadrgh
as code owners
yueyericardo
requested changes
Mar 20, 2023
torchani/ase.py
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| @@ -6,6 +6,7 @@ | |||
| """ | |||
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| import torch | |||
| import numpy as np | |||
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Suggested change
| import numpy as np |
This causes: RuntimeError: This function was deprecated since version 1.9 and is now removed. Please use the `torch.linalg.eigh` function instead.
This raises: Creating a tensor from a list of numpy.ndarrays is extremely slow. Please consider converting the list to a single numpy.ndarray with numpy.array() before converting to a tensor.
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Thanks for the comments @yueyericardo, |
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This PR fixes an issue with
torch.symeig, which is now deprecated. Instead, it is suggested to work withtorch.linalg.eigh