ergo
DIISManagerUnrestricted Class Reference

#include <diis_unrestricted.h>

Inheritance diagram for DIISManagerUnrestricted:
DIISManager

Public Member Functions

 DIISManagerUnrestricted ()
 ~DIISManagerUnrestricted ()
int AddIterationToList (symmMatrix &F_alpha, symmMatrix &F_beta, normalMatrix &E_alpha, normalMatrix &E_beta)
int ClearList ()
int GetCombinedFockMatrices (symmMatrix &result_alpha, symmMatrix &result_beta)
- Public Member Functions inherited from DIISManager
int Initialize (int noOfIters)
int GetNoOfIters ()

Additional Inherited Members

- Protected Member Functions inherited from DIISManager
 DIISManager ()
virtual ~DIISManager ()
ergo_real DoScalarProductOfErrorMatrices (const normalMatrix &E1, const normalMatrix &E2)
int RemoveOldestIteration ()
- Protected Attributes inherited from DIISManager
symmMatrix ** F_list [2]
normalMatrix ** E_list [2]
int MaxNoOfIters
int MatrixDimension
int IterCount
ergo_realB

Constructor & Destructor Documentation

DIISManagerUnrestricted::DIISManagerUnrestricted ( )
DIISManagerUnrestricted::~DIISManagerUnrestricted ( )

References ClearList().

Member Function Documentation

int DIISManagerUnrestricted::ClearList ( )

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