TwoElectronMatrix.cpp File Reference

#include "TwoElectronMatrix.h"
#include <Sparrow/Implementations/Nddo/Utils/IntegralsEvaluationUtils/Global2c2eMatrix.h>
#include <Sparrow/Implementations/Nddo/Utils/IntegralsEvaluationUtils/TwoCenterIntegralContainer.h>
#include <Sparrow/Implementations/Nddo/Utils/IntegralsEvaluationUtils/oneCenterIntegralContainer.h>
#include <Sparrow/Implementations/Nddo/Utils/IntegralsEvaluationUtils/oneCenterTwoElectronIntegrals.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/DensityMatrix.h>
#include <Utils/Math/AutomaticDifferentiation/MethodsHelpers.h>
#include <omp.h>

Include dependency graph for TwoElectronMatrix.cpp:

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