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Add relative energies to Singlepoint_fragments. Useful when we have multiple isomers (conformers, spin-state isomers etc.) and want to see their relative energies with respect to the lowest one.
The text was updated successfully, but these errors were encountered:
Add relative energies to Singlepoint_fragments. Useful when we have multiple isomers (conformers, spin-state isomers etc.) and want to see their relative energies with respect to the lowest one.
The text was updated successfully, but these errors were encountered: