OptimizationSetup.h File Reference

#include "ParametrizationUtils/FragmentDataDistributor.h"
#include <Eigen/Core>
#include <memory>
#include <vector>

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Classes
class	Scine::MMParametrization::OptimizationSetup
	This class sets up the initial MM parameters. The force constants will be optimized after that. 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.