InteractionTermEliminator.h File Reference

#include <Eigen/Sparse>
#include <memory>
#include <unordered_set>
#include <vector>

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Classes
class	Scine::Qmmm::InteractionTermEliminator
	This class handles the elimination of MM interaction terms, which are already covered by the QM calculation in QM/MM. More...

Detailed Description

Copyright

This code is licensed under the 3-clause BSD license.
Copyright ETH Zurich, Department of Chemistry and Applied Biosciences, Reiher Group.
See LICENSE.txt for details.