MADNESS  0.10.1
Public Member Functions | Private Types | Private Attributes | List of all members
MyDerivativeOperator< T, NDIM > Class Template Reference
Inheritance diagram for MyDerivativeOperator< T, NDIM >:
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Public Member Functions

 MyDerivativeOperator (World &world, const int axis1)
 
std::string info () const
 print some information about this operator More...
 
T operator() (const functionT &bra, const functionT &ket) const
 compute the matrix element <bra | op | ket> More...
 
functionT operator() (const functionT &ket) const
 
tensorT operator() (const vecfuncT &vbra, const vecfuncT &vket) const
 compute the matrix <vbra | op | vket> More...
 
vecfuncT operator() (const vecfuncT &vket) const
 apply this operator on the argument vector of functions More...
 
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, NDIMfunctionT
 
typedef Tensor< TtensorT
 
typedef std::vector< functionTvecfuncT
 

Private Attributes

int axis
 
bool ble =false
 
bool bsp =false
 
Worldworld
 

Additional Inherited Members

- Public Types inherited from madness::SCFOperatorBase< T, NDIM >
typedef Function< T, NDIMfunctionT
 
typedef Tensor< TtensorT
 
typedef std::vector< functionTvecfuncT
 
- Public Attributes inherited from madness::SCFOperatorBase< T, NDIM >
std::shared_ptr< MacroTaskQtaskq =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 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
brabra state
ketket state
Returns
the matrix element <bra | op | ket>

Implements madness::SCFOperatorBase< T, NDIM >.

◆ 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
ketthe argument function
Returns
op(ket)

Implements madness::SCFOperatorBase< T, NDIM >.

◆ 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
vbravector of bra states
vketvector of ket states
Returns
the matrix <vbra | op | vket>

Implements madness::SCFOperatorBase< T, NDIM >.

References madness::matrix_inner().

◆ 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
vketargument vector
Returns
op(vket)

Implements madness::SCFOperatorBase< T, NDIM >.

References madness::apply(), axis, and gradop.

◆ set_ble1()

template<typename T , std::size_t NDIM>
void MyDerivativeOperator< T, NDIM >::set_ble1 ( )
inline

◆ set_bspline1()

template<typename T , std::size_t NDIM>
void MyDerivativeOperator< T, NDIM >::set_bspline1 ( )
inline

Member Data Documentation

◆ axis

template<typename T , std::size_t NDIM>
int MyDerivativeOperator< T, NDIM >::axis
private

◆ ble

template<typename T , std::size_t NDIM>
bool MyDerivativeOperator< T, NDIM >::ble =false
private

◆ bsp

template<typename T , std::size_t NDIM>
bool MyDerivativeOperator< T, NDIM >::bsp =false
private

◆ world

template<typename T , std::size_t NDIM>
World& MyDerivativeOperator< T, NDIM >::world
private

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