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thomasloux
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Dec 4, 2025
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thomasloux
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Look good to me.
Are we sure that the standard value for all of these models is spin=0 charge=0. It would make sense but I'm not sure it's case when I looked at it, but I'm not sure.
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curtischong
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Dec 5, 2025
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I think this looks fine
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Good question. I am not sure, but it seems like a better default to me than torch.nan. If someone is using one of the models, I think it's reasonable to ask them to attend to setting the charge and spin. |
This was referenced Dec 12, 2025
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