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#335 leaves a few problems open for ZBL:
DistributedDataParallel
The text was updated successfully, but these errors were encountered:
A PR will be opened soon. Regarding the 3 points above:
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units: it's too early to have an internal unit system in metatrain. For now, users that want ZBL will have to work with eV and A
Do we send an error if the users has his dataset using different units?
Also, I don't think this would require having a full internal units systems in metatrain. Instead we could use metatensor.torch.atomistic.unit_conversion_factor("energy", "eV", "user-unit") when initializing the ZBL module to convert between the data stored in the code and what the user wants to use.
metatensor.torch.atomistic.unit_conversion_factor("energy", "eV", "user-unit")
frostedoyster
Successfully merging a pull request may close this issue.
#335 leaves a few problems open for ZBL:
DistributedDataParallel
doesn't like it)The text was updated successfully, but these errors were encountered: