ReparametrizationHelper.h File Reference

#include <string>
#include <unordered_set>

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Classes
class	Scine::MMParametrization::ReparametrizationHelper
	This class provides functionalities for the re-parametrization of a system, which has only slightly been modified. The most of the parameters can be re-used without new reference data generation or parameter optimization. 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.