LennardJones.h File Reference

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

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Classes
class	Scine::MolecularMechanics::LennardJones
	Class treating a non-bonded van der Waals interaction with a LJ potential, based solely on the bond length. (i.e. in 1 dimension) 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.