AtomicParametersTest.cpp File Reference

#include <Sparrow/Implementations/Nddo/Utils/ParameterUtils/AtomicParameters.h>
#include <gmock/gmock.h>

Include dependency graph for AtomicParametersTest.cpp:

Classes
class	Scine::Sparrow::AAtomicParameters

Functions
	Scine::Sparrow::TEST_F (AAtomicParameters, SetsDefaultElementToNone)
	Scine::Sparrow::TEST_F (AAtomicParameters, CanSetAtomType)
	Scine::Sparrow::TEST_F (AAtomicParameters, SetsDefaultNumberOfAOsToZero)
	Scine::Sparrow::TEST_F (AAtomicParameters, CanSetNumberOfAOs)
	Scine::Sparrow::TEST_F (AAtomicParameters, SetsNumberOfAOsWhenElementTypeIsSet)
	Scine::Sparrow::TEST_F (AAtomicParameters, MonoisotopicElementsWork)
	Scine::Sparrow::TEST_F (AAtomicParameters, CanSetCoreCharge)
	Scine::Sparrow::TEST_F (AAtomicParameters, IsNotValidIfNoElementSet)
	Scine::Sparrow::TEST_F (AAtomicParameters, CalculatesThirdRootOfCoreCharge)
	Scine::Sparrow::TEST_F (AAtomicParameters, HasNoGaussianRepulsionByDefault)
	Scine::Sparrow::TEST_F (AAtomicParameters, GaussianRepulsionParametersCanBeSet)
	Scine::Sparrow::TEST_F (AAtomicParameters, CorrectNumberOfAOsForDifferentBasisSets)
	Scine::Sparrow::TEST_F (AAtomicParameters, CorrectCoreChargeForDifferentBasisSets)

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.