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choderalab / modelforge

Infrastructure to implement and train NNPs
https://modelforge.readthedocs.io/en/latest/
MIT License
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make sure we use units for any public function #58

Closed chrisiacovella closed 9 months ago

chrisiacovella commented 9 months ago

As the title suggests, we need to make sure all points public api have clearly annotated units to avoid mistakes. Internally we can use a consistent unit set (since we can't really pass around units in tensors)

wiederm commented 9 months ago

Closed by PR #56