FragmentDataDistributor.h File Reference

#include <string>
#include <vector>

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Classes
class	Scine::MMParametrization::FragmentDataDistributor
	This class handles the distribution of the available data for the parameter optimization. This mainly includes the task of providing a list of candidate fragments from which to take reference data for the parameters associated with a given atom. 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.