MNDORepulsionEnergyTest.cpp File Reference

#include "Utils/Constants.h"
#include "Utils/Geometry/ElementTypes.h"
#include <Sparrow/Implementations/Nddo/Mndo/MNDOPairwiseRepulsion.h>
#include <Sparrow/Implementations/Nddo/Utils/ParameterUtils/AtomicParameters.h>
#include <gmock/gmock.h>
#include <cmath>

Include dependency graph for MNDORepulsionEnergyTest.cpp:

Classes
class	Scine::Sparrow::AMNDOPairwiseRepulsion

Functions
	Scine::Sparrow::TEST_F (AMNDOPairwiseRepulsion, ReturnsTheCorrectValueForArbitraryParameters)
	Scine::Sparrow::TEST_F (AMNDOPairwiseRepulsion, ReturnsTheCorrectDerivativeForArbitraryParameters)
	Scine::Sparrow::TEST_F (AMNDOPairwiseRepulsion, CorrectDerivativeForStandardParenthesis)

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.