CISLinearResponseTimeDependentCalculator.cpp File Reference

#include "CISLinearResponseTimeDependentCalculator.h"
#include "CISSettings.h"
#include "CISSpinContaminator.h"
#include <Sparrow/Implementations/Exceptions.h>
#include <Sparrow/Implementations/Nddo/NDDOMethodWrapper.h>
#include <Sparrow/Implementations/Nddo/Utils/IntegralsEvaluationUtils/Global2c2eMatrix.h>
#include <Sparrow/Implementations/TimeDependent/DiagonalPreconditionerEvaluator.h>
#include <Sparrow/Implementations/TimeDependent/TimeDependentUtils.h>
#include <Utils/IO/NativeFilenames.h>
#include <Core/Interfaces/Calculator.h>
#include <Core/Log.h>
#include <Utils/CalculatorBasics.h>
#include <Utils/CalculatorBasics/PropertyList.h>
#include <Utils/Constants.h>
#include <Utils/Math/IterativeDiagonalizer/DavidsonDiagonalizer.h>
#include <Utils/Math/IterativeDiagonalizer/DiagonalizerSettings.h>
#include <Utils/Scf/LcaoUtils/ElectronicOccupation.h>
#include <Utils/Scf/MethodExceptions.h>
#include <Utils/TimeDependent/TransitionDipoleCalculator.h>
#include <cereal/archives/xml.hpp>
#include <cereal/types/map.hpp>
#include <fstream>

Include dependency graph for CISLinearResponseTimeDependentCalculator.cpp:

Functions
Eigen::MatrixXd	Scine::Sparrow::generateGuess (int nConfigurations, int initialSubspaceDimension, std::shared_ptr< LinearResponseCalculator::GuessSpecifier > guess, Utils::SpinTransition spinBlock, Utils::Reference restrictedness)
int	Scine::Sparrow::getNConfigurations (Utils::SpinAdaptedContainer< Utils::Reference::Restricted, Eigen::VectorXd > energyDiffVector)
int	Scine::Sparrow::getNConfigurations (Utils::SpinAdaptedContainer< Utils::Reference::Unrestricted, Eigen::VectorXd > energyDiffVector)

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.