diis_general.cc File Reference

General DIISManager class that can be used as a base class in implementations of direct inversion in the iterative subspace (DIIS) for restricted and unrestricted cases. More...

#include <unistd.h>
#include "diis_general.h"
#include "utilities.h"
#include "output.h"
#include "memorymanag.h"

Typedefs
typedef symmMatrix *	symmMatrixPtr
typedef normalMatrix *	normalMatrixPtr

Detailed Description

General DIISManager class that can be used as a base class in implementations of direct inversion in the iterative subspace (DIIS) for restricted and unrestricted cases.

Author

: Elias Rudberg responsible.

Typedef Documentation

normalMatrixPtr

typedef normalMatrix* normalMatrixPtr

symmMatrixPtr

typedef symmMatrix* symmMatrixPtr