Tips ==== - Coordinates are in Angstrom, energies are in Hartree - Therefore, forces are in Hartree/Angstrom - Species are indexed by 0, 1, 2, 3, .... - You could use :class:`torchani.SpeciesConverter` to convert from periodic table element index to 0, 1, 2, 3, ... - Builtin models has an argument ``periodic_table_index`` in its constructor. You can set this to ``True`` when constructing models to switch to periodic table indexing.