DihedralsEvaluator.h File Reference

#include "DihedralTerm.h"
#include <Eigen/Core>
#include <vector>

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Classes
class	Scine::MolecularMechanics::DihedralsEvaluator
	This class calculates the total energy with its derivatives for all dihedral terms of the force field. 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.