ReactionProfile.h File Reference

#include "ProfileEnergies.h"
#include <Utils/Math/BSplines/MolecularSpline.h>

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Classes
class	Scine::Readuct::ElementaryStepOptimization::ReactionProfile

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.