DIISManager Class Reference

#include <diis_general.h>

Inheritance diagram for DIISManager:
DIISManagerRestricted DIISManagerUnrestricted

List of all members.

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 (  )  [protected, virtual]

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

ergo_real* DIISManager::B [protected]
symmMatrix** DIISManager::F_list[2] [protected]
int DIISManager::IterCount [protected]
int DIISManager::MaxNoOfIters [protected]

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

Generated on 21 Nov 2012 for ergo by  doxygen 1.6.1