fix atom e0s being subtracted twice in mace calculator #425
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Fixed a bug when using the MACE calculator to calculate node interaction energies.
Previously, the isolated atom energy was being subtracted twice. Note, I had to modify the
fitting_configsfixture to add E0s to the configs there, otherwise this bug was not being caught even with the old implementation.Also, I added an additional helper function to the calculator to batchify the atoms since the exact same code was used in two places within the calculator.
Also, changed the name of the function
_prepare_batchto_clone_batchto better reflect what it is doing.This should also resolve the following discussion:
#417