ReactionPathCostCalculator.h File Reference

#include <Eigen/Core>
#include <memory>

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Classes
class	Scine::Readuct::ElementaryStepOptimization::CostBasedOptimization::ReactionPathCostCalculator
	Interface for the cost calculation of reaction paths. More...

Detailed Description

Copyright

This code is licensed under the 3-clause BSD license.
Copyright ETH Zurich, Laboratory of Physical Chemistry, Reiher Group.
See LICENSE.txt for details.