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Can you also add the corresponding documentation in https://docs.metatensor.org/metatomic/latest/torch/reference/misc.html#known-quantities-and-units?
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Thanks @GardevoirX, I'll merge once CI is happy!
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In this i-pi PR, it has been possible to get beads information (mass, velocity, ...) from i-pi during simulation and pass it to metatomic models as extra inputs (e.g. get masses and velocities for heat flux calculation). However, the beads information is in atomic units, and is not supported in the unit conversion of metatomic. This PR aims to add this support and make it possible to update unit-related codes at i-pi side in future.
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