HydrogenBond.h File Reference

#include <Utils/Math/AutomaticDifferentiation/Second1D.h>

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Classes
class	Scine::MolecularMechanics::HydrogenBond
	Class calculating the energy and derivatives for a hydrogen bond based solely on the distance or on the angle, i.e. in 1 dimension, respectively. 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.