sisi4s::NaturalTransitionOrbitalsFromRhoAI Struct Reference

#include <NaturalTransitionOrbitalsFromRhoAI.hpp>

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Public Member Functions
virtual std::string	getName ()
	NaturalTransitionOrbitalsFromRhoAI (std::vector< Argument > const &argumentList)
virtual	~NaturalTransitionOrbitalsFromRhoAI ()
virtual void	run ()
template<typename F >
void	buildTransformations (Tensor< F > &rho, const std::string name)
template<typename F >
void	run ()
Public Member Functions inherited from sisi4s::Algorithm
	Algorithm (std::vector< Argument > const &argumentList)
virtual	~Algorithm ()
virtual std::string	getName ()=0
virtual void	run ()=0
virtual void	dryRun ()
	The dryRun estimates resource consumption, especially memory and processor time.
bool	isArgumentGiven (std::string const &argumentName)
std::string	getTextArgument (std::string const &argumentName)
std::string	getTextArgument (std::string const &argumentName, std::string const &defaultValue)
bool	getBooleanArgument (std::string const &name)
bool	getBooleanArgument (std::string const &name, bool const &defaultValue)
int64_t	getIntegerArgument (std::string const &argumentName)
int64_t	getIntegerArgument (std::string const &argumentName, int64_t const defaultValue)
real	getRealArgument (std::string const &argumentName)
real	getRealArgument (std::string const &argumentName, real const defaultValue)
template<typename F = real, typename T = Tensor<F>>
T *	getTensorArgument (std::string const &argumentName)
template<typename F = real, typename C = std::vector<F>>
C *	getContainerArgument (std::string const &argumentName)
template<typename F = real, typename C = std::vector<F>>
void	allocateContainerArgument (std::string const &argumentName, C *container)
std::vector< std::string >	getGivenArgumentNames () const
void	checkArgumentsOrDie (const std::vector< std::string > args) const
template<typename F = real, typename T = Tensor<F>>
void	allocatedTensorArgument (std::string const &argumentName, T *tensor)
	Specifies the location of an output tensor data.
void	setRealArgument (std::string const &argumentName, real const value)
void	setIntegerArgument (std::string const &argumentName, int const value)
real	getRealArgumentFromInteger (IntegerData *data)
real	getRealArgumentFromTensor (TensorData< real > *data)
template<typename F = real, typename T = Tensor<F>>
T *	getTensorArgumentFromReal (RealData *realData)
	Converts the given real data into a scalar tensor.
Data *	getArgumentData (std::string const &argumentName)

Static Public Attributes
static sisi4s::AlgorithmRegistrar< NaturalTransitionOrbitalsFromRhoAI >	registrar_

Additional Inherited Members
Public Attributes inherited from sisi4s::Algorithm
std::string	note
bool	fallible = false
std::map< std::string, std::string >	arguments

Constructor & Destructor Documentation

NaturalTransitionOrbitalsFromRhoAI()

sisi4s::NaturalTransitionOrbitalsFromRhoAI::NaturalTransitionOrbitalsFromRhoAI ( std::vector< Argument > const &  argumentList )

inline

~NaturalTransitionOrbitalsFromRhoAI()

virtual sisi4s::NaturalTransitionOrbitalsFromRhoAI::~NaturalTransitionOrbitalsFromRhoAI ( )

inlinevirtual

Member Function Documentation

buildTransformations()

template<typename F >

void NaturalTransitionOrbitalsFromRhoAI::buildTransformations	(	Tensor< F > &	rho,
		const std::string	name
	)

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getName()

virtual std::string sisi4s::NaturalTransitionOrbitalsFromRhoAI::getName ( )

inlinevirtual

Implements sisi4s::Algorithm.

run() [1/2]

void NaturalTransitionOrbitalsFromRhoAI::run ( )

virtual

Implements sisi4s::Algorithm.

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run() [2/2]

template<typename F >

void NaturalTransitionOrbitalsFromRhoAI::run

virtual

Implements sisi4s::Algorithm.

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Member Data Documentation

registrar_

sisi4s::AlgorithmRegistrar< NaturalTransitionOrbitalsFromRhoAI > NaturalTransitionOrbitalsFromRhoAI::registrar_

static

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The documentation for this struct was generated from the following files:

• NaturalTransitionOrbitalsFromRhoAI.hpp
• NaturalTransitionOrbitalsFromRhoAI.cxx