MyDerivativeOperator< T, NDIM > Class Template Reference

Inheritance diagram for MyDerivativeOperator< T, NDIM >:

Collaboration diagram for MyDerivativeOperator< T, NDIM >:

Public Member Functions
	MyDerivativeOperator (World &world, const int axis1)
std::string	info () const
	print some information about this operator
T	operator() (const functionT &bra, const functionT &ket) const
	compute the matrix element <bra | op | ket>
functionT	operator() (const functionT &ket) const
tensorT	operator() (const vecfuncT &vbra, const vecfuncT &vket) const
	compute the matrix <vbra | op | vket>
vecfuncT	operator() (const vecfuncT &vket) const
	apply this operator on the argument vector of functions
void	set_ble1 ()
void	set_bspline1 ()
Public Member Functions inherited from madness::SCFOperatorBase< T, NDIM >
	SCFOperatorBase ()=default
	SCFOperatorBase (std::shared_ptr< MacroTaskQ > taskq)
virtual	~SCFOperatorBase ()

Private Types
typedef Function< T, NDIM >	functionT
typedef Tensor< T >	tensorT
typedef std::vector< functionT >	vecfuncT

Private Attributes
int	axis
bool	ble =false
bool	bsp =false
World &	world

Additional Inherited Members
Public Types inherited from madness::SCFOperatorBase< T, NDIM >
typedef Function< T, NDIM >	functionT
typedef Tensor< T >	tensorT
typedef std::vector< functionT >	vecfuncT
Public Attributes inherited from madness::SCFOperatorBase< T, NDIM >
std::shared_ptr< MacroTaskQ >	taskq =0

Member Typedef Documentation

functionT

template<typename T , std::size_t NDIM>

typedef Function<T,NDIM> MyDerivativeOperator< T, NDIM >::functionT

private

tensorT

template<typename T , std::size_t NDIM>

typedef Tensor<T> MyDerivativeOperator< T, NDIM >::tensorT

private

vecfuncT

template<typename T , std::size_t NDIM>

typedef std::vector<functionT> MyDerivativeOperator< T, NDIM >::vecfuncT

private

Constructor & Destructor Documentation

MyDerivativeOperator()

template<typename T , std::size_t NDIM>

MyDerivativeOperator< T, NDIM >::MyDerivativeOperator ( World &  world, const int  axis1  )

inline

Member Function Documentation

info()

template<typename T , std::size_t NDIM>

std::string MyDerivativeOperator< T, NDIM >::info ( ) const

inlinevirtual

print some information about this operator

Implements madness::SCFOperatorBase< T, NDIM >.

References MyDerivativeOperator< T, NDIM >::axis.

operator()() [1/4]

template<typename T , std::size_t NDIM>

T MyDerivativeOperator< T, NDIM >::operator() ( const functionT &  bra, const functionT &  ket  ) const

inlinevirtual

compute the matrix element <bra | op | ket>

Parameters

bra	bra state
ket	ket state

Returns

the matrix element <bra | op | ket>

Implements madness::SCFOperatorBase< T, NDIM >.

References MyDerivativeOperator< T, NDIM >::operator()().

operator()() [2/4]

template<typename T , std::size_t NDIM>

functionT MyDerivativeOperator< T, NDIM >::operator() ( const functionT &  ket ) const

inlinevirtual

apply this operator on the argument function

Parameters

ket	the argument function

Returns

op(ket)

Implements madness::SCFOperatorBase< T, NDIM >.

References MyDerivativeOperator< T, NDIM >::operator()().

Referenced by MyDerivativeOperator< T, NDIM >::operator()(), MyDerivativeOperator< T, NDIM >::operator()(), and MyDerivativeOperator< T, NDIM >::operator()().

operator()() [3/4]

template<typename T , std::size_t NDIM>

tensorT MyDerivativeOperator< T, NDIM >::operator() ( const vecfuncT &  vbra, const vecfuncT &  vket  ) const

inlinevirtual

compute the matrix <vbra | op | vket>

Parameters

vbra	vector of bra states
vket	vector of ket states

Returns

the matrix <vbra | op | vket>

Implements madness::SCFOperatorBase< T, NDIM >.

References matrix_inner(), MyDerivativeOperator< T, NDIM >::operator()(), and MyDerivativeOperator< T, NDIM >::world.

operator()() [4/4]

template<typename T , std::size_t NDIM>

vecfuncT MyDerivativeOperator< T, NDIM >::operator() ( const vecfuncT &  vket ) const

inlinevirtual

apply this operator on the argument vector of functions

Parameters

vket	argument vector

Returns

op(vket)

Implements madness::SCFOperatorBase< T, NDIM >.

References madness::apply(), MyDerivativeOperator< T, NDIM >::axis, MyDerivativeOperator< T, NDIM >::ble, MyDerivativeOperator< T, NDIM >::bsp, madness::WorldGopInterface::fence(), madness::World::gop, gradop, and MyDerivativeOperator< T, NDIM >::world.

set_ble1()

template<typename T , std::size_t NDIM>

void MyDerivativeOperator< T, NDIM >::set_ble1 ( )

inline

References MyDerivativeOperator< T, NDIM >::ble.

set_bspline1()

template<typename T , std::size_t NDIM>

void MyDerivativeOperator< T, NDIM >::set_bspline1 ( )

inline

References MyDerivativeOperator< T, NDIM >::bsp.

Member Data Documentation

axis

template<typename T , std::size_t NDIM>

int MyDerivativeOperator< T, NDIM >::axis

private

Referenced by MyDerivativeOperator< T, NDIM >::info(), and MyDerivativeOperator< T, NDIM >::operator()().

ble

template<typename T , std::size_t NDIM>

bool MyDerivativeOperator< T, NDIM >::ble =false

private

Referenced by MyDerivativeOperator< T, NDIM >::operator()(), and MyDerivativeOperator< T, NDIM >::set_ble1().

bsp

template<typename T , std::size_t NDIM>

bool MyDerivativeOperator< T, NDIM >::bsp =false

private

Referenced by MyDerivativeOperator< T, NDIM >::operator()(), and MyDerivativeOperator< T, NDIM >::set_bspline1().

world

template<typename T , std::size_t NDIM>

World& MyDerivativeOperator< T, NDIM >::world

private

Referenced by MyDerivativeOperator< T, NDIM >::operator()(), and MyDerivativeOperator< T, NDIM >::operator()().

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

• dirac-hatom.cc