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A silly one, probably, but I've seen that the MACE calculator has a placeholder for a get_potential_energies() function. Is that meant to return a vector with the potential energy of each atom in the system? If so, is there any timeline for it to be implemented?
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A silly one, probably, but I've seen that the MACE calculator has a placeholder for a get_potential_energies() function. Is that meant to return a vector with the potential energy of each atom in the system? If so, is there any timeline for it to be implemented?
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