OneElectronMatrix.cpp File Reference

#include "OneElectronMatrix.h"
#include <Sparrow/Implementations/Nddo/Utils/IntegralsEvaluationUtils/TwoCenterIntegralContainer.h>
#include <Sparrow/Implementations/Nddo/Utils/IntegralsEvaluationUtils/VuvB.h>
#include <Sparrow/Implementations/Nddo/Utils/ParameterUtils/AtomicParameters.h>
#include <Sparrow/Implementations/Nddo/Utils/ParameterUtils/ElementParameters.h>
#include <Utils/DataStructures/AtomsOrbitalsIndexes.h>
#include <Utils/DataStructures/MatrixWithDerivatives.h>
#include <algorithm>

Include dependency graph for OneElectronMatrix.cpp:

Functions
template void	Scine::Sparrow::nddo::OneElectronMatrix::addDerivatives< Utils::Derivative::First > (DerivativeContainerType< Utils::Derivative::First > &, const Utils::MatrixWithDerivatives &) const
template void	Scine::Sparrow::nddo::OneElectronMatrix::addDerivatives< Utils::Derivative::SecondAtomic > (DerivativeContainerType< Utils::Derivative::SecondAtomic > &, const Utils::MatrixWithDerivatives &) const
template void	Scine::Sparrow::nddo::OneElectronMatrix::addDerivatives< Utils::Derivative::SecondFull > (DerivativeContainerType< Utils::Derivative::SecondFull > &, const Utils::MatrixWithDerivatives &) const

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.