#include <NuclearRepulsionEnergy.hpp>

Inheritance diagram for sisi4s::NuclearRepulsionEnergy:

Collaboration diagram for sisi4s::NuclearRepulsionEnergy:

Public Member Functions
virtual std::string	getName ()

	NuclearRepulsionEnergy (std::vector< Argument > const &argumentList)

	~NuclearRepulsionEnergy ()

virtual 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< NuclearRepulsionEnergy >	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

◆ NuclearRepulsionEnergy()

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

inline

◆ ~NuclearRepulsionEnergy()

sisi4s::NuclearRepulsionEnergy::~NuclearRepulsionEnergy ( )

inline

Member Function Documentation

◆ getName()

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

inlinevirtual

Implements sisi4s::Algorithm.

◆ run()

void NuclearRepulsionEnergy::run ( )

virtual

Implements sisi4s::Algorithm.

Here is the call graph for this function:

Member Data Documentation

◆ registrar_

sisi4s::AlgorithmRegistrar< NuclearRepulsionEnergy > NuclearRepulsionEnergy::registrar_

static

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

Public Member Functions

Static Public Attributes

Additional Inherited Members