source/scf/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 symmMatrixsymmMatrixPtr
typedef normalMatrixnormalMatrixPtr

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


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