StandardDipoleTest.cpp File Reference

#include <Core/Interfaces/Calculator.h>
#include <Core/Log.h>
#include <Sparrow/Implementations/DipoleMatrixCalculator.h>
#include <Sparrow/Implementations/Nddo/Pm6/Wrapper/PM6MethodWrapper.h>
#include <Sparrow/Implementations/Nddo/Utils/DipoleUtils/AtomPairDipole.h>
#include <Sparrow/Implementations/Nddo/Utils/DipoleUtils/NDDODipoleMatrixCalculator.h>
#include <Sparrow/Implementations/Nddo/Utils/DipoleUtils/NDDODipoleMomentCalculator.h>
#include <Utils/CalculatorBasics.h>
#include <Utils/DataStructures/AtomicGtos.h>
#include <Utils/DataStructures/DipoleMatrix.h>
#include <Utils/DataStructures/SlaterToGaussian.h>
#include <Utils/Geometry/AtomCollection.h>
#include <Utils/IO/ChemicalFileFormats/XyzStreamHandler.h>
#include <Utils/Scf/LcaoUtils/SpinMode.h>
#include <Utils/Settings.h>
#include <Utils/Typenames.h>
#include <Utils/UniversalSettings/SettingsNames.h>
#include <gmock/gmock.h>
#include <Eigen/Core>
#include <array>
#include <chrono>

Include dependency graph for StandardDipoleTest.cpp:

Classes
class	Scine::Sparrow::SlaterToGaussianDipoleTest

Functions
	Scine::Sparrow::TEST_F (SlaterToGaussianDipoleTest, TestwithH2)
	Scine::Sparrow::TEST_F (SlaterToGaussianDipoleTest, TestxDipoleMatrixBlock1s2sSTO_1G)
	Scine::Sparrow::TEST_F (SlaterToGaussianDipoleTest, TestxDipoleMatrixBlock1s2pSTO_1G)
	Scine::Sparrow::TEST_F (SlaterToGaussianDipoleTest, TestxDipoleMatrixBlock1s2sSTO_2G)
	Scine::Sparrow::TEST_F (SlaterToGaussianDipoleTest, TestxDipoleMatrixBlock1s2pSTO_2G)
	Scine::Sparrow::TEST_F (SlaterToGaussianDipoleTest, TestyDipoleMatrixBlock1s2pSTO_2G)
	Scine::Sparrow::TEST_F (SlaterToGaussianDipoleTest, TestxDipoleMatrixBlock1s1sSTO_2G)
	Scine::Sparrow::TEST_F (SlaterToGaussianDipoleTest, TestxDipoleMatrixHH)
	Scine::Sparrow::TEST_F (SlaterToGaussianDipoleTest, ObaraSaikaAndAnalyticalAreEqual)
	Scine::Sparrow::TEST_F (SlaterToGaussianDipoleTest, NuclearDipoleContribution)
	Scine::Sparrow::TEST_F (SlaterToGaussianDipoleTest, DipoleMatrixEthanolEqualsLibCInt)
	Scine::Sparrow::TEST_F (SlaterToGaussianDipoleTest, DiHydrogenDipoleTestStretching)
	Scine::Sparrow::TEST_F (SlaterToGaussianDipoleTest, EthanolDipoleTest)
	Scine::Sparrow::TEST_F (SlaterToGaussianDipoleTest, HFDipoleTest)
	Scine::Sparrow::TEST_F (SlaterToGaussianDipoleTest, TestCO2Dipole)

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.