option to set energy reference #72
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Providing a reference for the energy can help training when with ignored species. For example, when working with LiCoO2 with Li vacancies, CoO2 part can be ignored in training the on-lattice model. In this case, DFT energies for the situation where Li is fully depleted is finite. On the other hand, the machine learning on-lattice model will see zero atoms in the system and will be unable to return a finite value (some machine learning potential codes such as nequip/aenet provide possibility of learning an energy reference, but aenet does not). The new option in this pull request enables setting of the reference energy by the user.