#include <vector>

Include dependency graph for SymmetryScores.h:

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Functions
double	Scine::Qmmm::calculateSymmetryScoreForOneModel (const QmmmModel &model, const std::vector< double > &distances, int numberOfValuesForMean)
	Calculates the symmetry score for one QM/MM model. More...

double	Scine::Qmmm::calculateMaxAllowedSymmetryScore (const QmmmData &qmmmData, const Utils::Settings &settings)
	Calculates the maximum allowed symmetry score based on the symmetry scores of all the candidate models, which can be found in the QmmmData object. 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.

Functions