ReferenceDataForTests.h File Reference

#include "../Files/tests_file_location.h"
#include <Eigen/Core>
#include <fstream>
#include <list>
#include <regex>
#include <vector>

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Functions
std::vector< double >	Scine::Swoose::ReferenceDataForTests::parseReferenceEnergies ()
std::vector< ForcesCollection >	Scine::Swoose::ReferenceDataForTests::parseReferenceForces (std::string filename, int nStruct, int nAtoms)

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.