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rmrresearch / GhostFragment

Library focused on fragment-based methods and basis-set superposition corrections
https://rmrresearch.github.io/GhostFragment/
Apache License 2.0
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Engine #51

Open ryanmrichard opened 1 year ago

ryanmrichard commented 1 year ago

The engine will take the output of the InputQueue maker and call a module satisfying `simde::Energy for each ChemicalSystem object returned by the InputQueue. The weighted sum of the energies resulting from the submodule should then be returned.