ergo
DIISManager Class Reference

#include <diis_general.h>

Inheritance diagram for DIISManager:
DIISManagerRestricted DIISManagerUnrestricted

Public Member Functions

int Initialize (int noOfIters)
int GetNoOfIters ()

Protected Member Functions

 DIISManager ()
virtual ~DIISManager ()
ergo_real DoScalarProductOfErrorMatrices (const normalMatrix &E1, const normalMatrix &E2)
int RemoveOldestIteration ()

Protected Attributes

symmMatrix ** F_list [2]
normalMatrix ** E_list [2]
int MaxNoOfIters
int MatrixDimension
int IterCount
ergo_realB

Constructor & Destructor Documentation

DIISManager::DIISManager ( )
protected

References B, E_list, F_list, IterCount, and MaxNoOfIters.

DIISManager::~DIISManager ( )
protectedvirtual

References B, E_list, and F_list.

Member Function Documentation

ergo_real DIISManager::DoScalarProductOfErrorMatrices ( const normalMatrix E1,
const normalMatrix E2 
)
protected
int DIISManager::GetNoOfIters ( )

References IterCount.

Referenced by SCF_general::do_SCF_iterations().

int DIISManager::Initialize ( int  noOfIters)
int DIISManager::RemoveOldestIteration ( )
protected

Member Data Documentation

int DIISManager::MatrixDimension
protected

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