#include <Core/BaseClasses/ObjectWithLog.h>
#include <Swoose/QMMM/QmmmCalculator.h>
#include <Utils/Geometry/AtomCollection.h>
#include <memory>
#include <vector>

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Classes
struct	Scine::Qmmm::QmmmModel
	Holds the information about one QM/MM model: its structure, its QM atom indices, and its charge and spin multiplicity. More...

class	Scine::Qmmm::QmRegionSelector
	Automated selection of the QM region given a central atom around which it should be constructed and other settings. More...

class	Scine::Qmmm::QmRegionHasNotBeenSelectedException

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.