BasisPruningTest.cpp File Reference

#include <Sparrow/Implementations/Dftb/Dftb2/Wrapper/DFTB2MethodWrapper.h>
#include <Sparrow/Implementations/Dftb/TimeDependent/LinearResponse/BasisPruner.h>
#include <Sparrow/Implementations/Dftb/TimeDependent/LinearResponse/TDDFTBCalculator.h>
#include <Sparrow/Implementations/Dftb/TimeDependent/LinearResponse/TDDFTBData.h>
#include <Sparrow/Implementations/Dftb/Utils/DipoleUtils/TransitionChargesCalculator.h>
#include <Sparrow/Implementations/TimeDependent/DiagonalPreconditionerEvaluator.h>
#include <Utils/IO/ChemicalFileFormats/XyzStreamHandler.h>
#include <Utils/Math/IterativeDiagonalizer/DavidsonDiagonalizer.h>
#include <Utils/Math/IterativeDiagonalizer/DiagonalizerSettings.h>
#include <Utils/Scf/LcaoUtils/SpinMode.h>
#include <Utils/UniversalSettings/SettingsNames.h>
#include <gmock/gmock.h>
#include <chrono>

Include dependency graph for BasisPruningTest.cpp:

Classes
class	Scine::Sparrow::ABasisPruningTest

Functions
	Scine::Sparrow::TEST_F (ABasisPruningTest, ResultsWithBasisPrunerSameWithInfiniteEnergyThresholdRestricted)
	Scine::Sparrow::TEST_F (ABasisPruningTest, ResultsWithBasisPrunerSameWithInfiniteEnergyThresholdUnrestricted)
	Scine::Sparrow::TEST_F (ABasisPruningTest, ResultsWithBasisPrunerSameWithZeroPerturbativeThresholdRestricted)
	Scine::Sparrow::TEST_F (ABasisPruningTest, ResultsWithBasisPrunerSameWithZeroPerturbativeThresholdUnrestricted)
	Scine::Sparrow::TEST_F (ABasisPruningTest, StandardThresholdsGiveSimilarResultsRestrictedSinglet)
	Scine::Sparrow::TEST_F (ABasisPruningTest, StandardThresholdsGiveSimilarResultsRestrictedTriplet)
	Scine::Sparrow::TEST_F (ABasisPruningTest, StandardThresholdsGiveSimilarResultsUnrestricted)
	Scine::Sparrow::TEST_F (ABasisPruningTest, BinaryTestPrunedRHF)
	Scine::Sparrow::TEST_F (ABasisPruningTest, BinaryTestPrunedUHF)

Detailed Description

Copyright

This code is licensed under the 3-clause BSD license.
Copyright ETH Zurich, Laboratory of Physical Chemistry, Reiher Group.
See LICENSE.txt for details.