Consider adding support for `energy_ensemble` in DFT-D3 wrapper

[Luthaf]

The DFT-D3 wrapper from #219 does not support correcting the energy_ensemble output, we should add support for it.

It could be interesting to also have some tool to do corrections like this on multiple output and variants in a more systematic way.

[GardevoirX]

The same thing might also be worth doing for the heat flux wrapper
https://github.com/metatensor/metatomic/blob/main/python/metatomic_torch/metatomic/torch/heat_flux.py