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

typedef Function< T, NDIMfuncT
 

Public Member Functions

 NuclearChargeDensityOp (World &world, funcT rhon, double coeff, double thresh)
 
 ~NuclearChargeDensityOp ()
 
virtual bool is_od ()
 Is there an orbitally-dependent term? More...
 
virtual bool is_rd ()
 Is there a density-dependent term? More...
 
virtual funcT op_r (const funcT &rho, const funcT &psi)
 Density-dependent portion of operator. More...
 
void prepare_op (Function< double, NDIM > rho)
 
- Public Member Functions inherited from madness::EigSolverOp< T, NDIM >
 EigSolverOp (World &world, double coeff, double thresh)
 
virtual ~EigSolverOp ()
 
double coeff ()
 
std::string messsageME ()
 
virtual std::vector< funcTmulti_op_o (const std::vector< funcT > &phis)
 Orbital-dependent portion of operator. More...
 
virtual std::vector< funcTmulti_op_r (const funcT &rho, const std::vector< funcT > &phis)
 Density-dependent portion of operator. More...
 
virtual funcT op_o (const std::vector< funcT > &phis, const funcT &psi)
 Orbital-dependent portion of operator. More...
 
virtual void prepare_op (funcT rho)
 Build the potential from a density if a density-dependent operator. More...
 

Private Attributes

SeparatedConvolution< T, NDIM > * _cop
 
funcT _rhon
 
funcT _Vnuc
 

Additional Inherited Members

- Public Attributes inherited from madness::EigSolverOp< T, NDIM >
World_world
 
- Protected Member Functions inherited from madness::EigSolverOp< T, NDIM >
void messageME (std::string messageME)
 
double thresh ()
 

Member Typedef Documentation

◆ funcT

template<typename T , int NDIM>
typedef Function<T,NDIM> NuclearChargeDensityOp< T, NDIM >::funcT

Constructor & Destructor Documentation

◆ NuclearChargeDensityOp()

template<typename T , int NDIM>
NuclearChargeDensityOp< T, NDIM >::NuclearChargeDensityOp ( World world,
funcT  rhon,
double  coeff,
double  thresh 
)
inline

References madness::apply(), e(), and thresh.

◆ ~NuclearChargeDensityOp()

template<typename T , int NDIM>
NuclearChargeDensityOp< T, NDIM >::~NuclearChargeDensityOp ( )
inline

Member Function Documentation

◆ is_od()

template<typename T , int NDIM>
virtual bool NuclearChargeDensityOp< T, NDIM >::is_od ( )
inlinevirtual

Is there an orbitally-dependent term?

Implements madness::EigSolverOp< T, NDIM >.

◆ is_rd()

template<typename T , int NDIM>
virtual bool NuclearChargeDensityOp< T, NDIM >::is_rd ( )
inlinevirtual

Is there a density-dependent term?

Implements madness::EigSolverOp< T, NDIM >.

◆ op_r()

template<typename T , int NDIM>
virtual funcT NuclearChargeDensityOp< T, NDIM >::op_r ( const funcT rho,
const funcT psi 
)
inlinevirtual

Density-dependent portion of operator.

Reimplemented from madness::EigSolverOp< T, NDIM >.

References psi().

◆ prepare_op()

template<typename T , int NDIM>
void NuclearChargeDensityOp< T, NDIM >::prepare_op ( Function< double, NDIM rho)
inline

Member Data Documentation

◆ _cop

template<typename T , int NDIM>
SeparatedConvolution<T,NDIM>* NuclearChargeDensityOp< T, NDIM >::_cop
private

◆ _rhon

template<typename T , int NDIM>
funcT NuclearChargeDensityOp< T, NDIM >::_rhon
private

◆ _Vnuc

template<typename T , int NDIM>
funcT NuclearChargeDensityOp< T, NDIM >::_Vnuc
private

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