39 #ifndef DIIS_GENERAL_HEADER
40 #define DIIS_GENERAL_HEADER
Definition: diis_general.h:48
int RemoveOldestIteration()
Definition: diis_general.cc:122
symmMatrix ** F_list[2]
Definition: diis_general.h:61
ergo_real * B
Definition: diis_general.h:69
ergo_real DoScalarProductOfErrorMatrices(const normalMatrix &E1, const normalMatrix &E2)
Definition: diis_general.cc:116
int MatrixDimension
Definition: diis_general.h:67
normalMatrix ** E_list[2]
Definition: diis_general.h:62
virtual ~DIISManager()
Definition: diis_general.cc:61
int MaxNoOfIters
Definition: diis_general.h:66
int Initialize(int noOfIters)
Definition: diis_general.cc:83
int GetNoOfIters()
Definition: diis_general.cc:74
DIISManager()
Definition: diis_general.cc:48
int IterCount
Definition: diis_general.h:68
Header file with typedefs for matrix and vector types.
Definition of the main floating-point datatype used; the ergo_real type.
double ergo_real
Definition: realtype.h:69
MatrixSymmetric< real, matri > symmMatrix
Definition: test_LanczosSeveralLargestEig.cc:69
MatrixGeneral< real, matri > normalMatrix
Definition: test_LanczosSeveralLargestEig.cc:71