MolecularMechanicsCalculator.h File Reference

#include <Core/Interfaces/Calculator.h>
#include <Utils/CalculatorBasics/PropertyList.h>
#include <Utils/CalculatorBasics/Results.h>
#include <Utils/Geometry/AtomCollection.h>
#include <Utils/Settings.h>
#include <Utils/Technical/CloneInterface.h>
#include <list>

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Classes
class	Scine::MolecularMechanics::MolecularMechanicsCalculator
	Base class for the MM methods (currently: SFAM and GAFF). 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.