Comments (2)
davkovacs
commented on June 2, 2024
Hi! Thanks for submitting an issue.
Can you send us the code you used to create the calculator?
One source of the problem might be that you used float32 for training, and the default dtype for the calculator is float64. Have you specified the data type to float32 when creating the calculator by setting the keyword default_dtype="float32" ?
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kkly1995
commented on June 2, 2024
That specification worked, thanks for the quick response. The previous version of MACE worked without it, which is why I hadn't considered it here.
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