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Add atomization-consistent training #123
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This PR adds a new feature to hippynn which trains an energy predictor which is self-consistent under an atomization process; the training must be done to an appropriately normalized dataset, that is one of calculated atomization energies.
The feature should be functional with all other hippynn facilities including the ase interface and lammps interface. If it is not working, and you are somehow at this PR because it is broken, please leave a message.
Changes for this feature include:
Other related changes introduced here: