pymatgen nbh list update #762
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Maltimore
reviewed
Dec 4, 2025
| device = positions.device | ||
| dtype = positions.dtype | ||
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| if cell_np.dtype == np.float32: |
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i wonder if one could do if not cell_np.dtype == np.float32: instead? to catch other dtypes. On the other hand, if the dtype is something like an integer or boolean, we probably just want an error here instead of casting.
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