MADNESS  0.10.1
Public Member Functions | Public Attributes | Protected Member Functions | Private Types | Private Attributes | List of all members
madness::EigSolverOp< T, NDIM > Class Template Referenceabstract

#include <eigsolver.h>

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Public Member Functions

 EigSolverOp (World &world, double coeff, double thresh)
 
virtual ~EigSolverOp ()
 
double coeff ()
 
virtual bool is_od ()=0
 Is there an orbitally-dependent term? More...
 
virtual bool is_rd ()=0
 Is there a density-dependent term? More...
 
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 funcT op_r (const funcT &rho, const funcT &psi)
 Density-dependent portion of operator. More...
 
virtual void prepare_op (funcT rho)
 Build the potential from a density if a density-dependent operator. More...
 

Public Attributes

World_world
 

Protected Member Functions

void messageME (std::string messageME)
 
double thresh ()
 

Private Types

typedef Function< T, NDIMfuncT
 

Private Attributes

double _coeff
 
std::string _messageME
 
double _thresh
 

Member Typedef Documentation

◆ funcT

template<typename T , int NDIM>
typedef Function<T,NDIM> madness::EigSolverOp< T, NDIM >::funcT
private

Constructor & Destructor Documentation

◆ EigSolverOp()

template<typename T , int NDIM>
madness::EigSolverOp< T, NDIM >::EigSolverOp ( World world,
double  coeff,
double  thresh 
)
inline

◆ ~EigSolverOp()

template<typename T , int NDIM>
virtual madness::EigSolverOp< T, NDIM >::~EigSolverOp ( )
inlinevirtual

Member Function Documentation

◆ coeff()

template<typename T , int NDIM>
double madness::EigSolverOp< T, NDIM >::coeff ( )
inline

◆ is_od()

template<typename T , int NDIM>
virtual bool madness::EigSolverOp< T, NDIM >::is_od ( )
pure virtual

◆ is_rd()

template<typename T , int NDIM>
virtual bool madness::EigSolverOp< T, NDIM >::is_rd ( )
pure virtual

◆ messageME()

template<typename T , int NDIM>
void madness::EigSolverOp< T, NDIM >::messageME ( std::string  messageME)
inlineprotected

◆ messsageME()

template<typename T , int NDIM>
std::string madness::EigSolverOp< T, NDIM >::messsageME ( )
inline

◆ multi_op_o()

template<typename T , int NDIM>
virtual std::vector<funcT> madness::EigSolverOp< T, NDIM >::multi_op_o ( const std::vector< funcT > &  phis)
inlinevirtual

◆ multi_op_r()

template<typename T , int NDIM>
virtual std::vector<funcT> madness::EigSolverOp< T, NDIM >::multi_op_r ( const funcT rho,
const std::vector< funcT > &  phis 
)
inlinevirtual

◆ op_o()

template<typename T , int NDIM>
virtual funcT madness::EigSolverOp< T, NDIM >::op_o ( const std::vector< funcT > &  phis,
const funcT psi 
)
inlinevirtual

Orbital-dependent portion of operator.

Reimplemented in madness::HartreeFockExchangeOp< T, NDIM >.

References madness::EigSolverOp< T, NDIM >::_world, and madness::func().

Referenced by madness::EigSolverOp< T, NDIM >::multi_op_o().

◆ op_r()

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

◆ prepare_op()

template<typename T , int NDIM>
virtual void madness::EigSolverOp< T, NDIM >::prepare_op ( funcT  rho)
inlinevirtual

Build the potential from a density if a density-dependent operator.

◆ thresh()

template<typename T , int NDIM>
double madness::EigSolverOp< T, NDIM >::thresh ( )
inlineprotected

Member Data Documentation

◆ _coeff

template<typename T , int NDIM>
double madness::EigSolverOp< T, NDIM >::_coeff
private

◆ _messageME

template<typename T , int NDIM>
std::string madness::EigSolverOp< T, NDIM >::_messageME
private

◆ _thresh

template<typename T , int NDIM>
double madness::EigSolverOp< T, NDIM >::_thresh
private

◆ _world

template<typename T , int NDIM>
World& madness::EigSolverOp< T, NDIM >::_world

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