GaffAtomTypeIdentifier.h File Reference

#include "../AtomTypesHolder.h"
#include <Utils/Typenames.h>
#include <list>
#include <string>
#include <vector>

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Classes
class	Scine::MolecularMechanics::GaffAtomTypeIdentifier
	Class determining the GAFF atom types of a system given its connectivity, its element types and an atom type level. 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.