39 #ifndef DIIS_UNRESTRICTED_HEADER 40 #define DIIS_UNRESTRICTED_HEADER General DIISManager class that can be used as a base class in implementations of direct inversion in ...
DIISManagerUnrestricted()
Definition: diis_unrestricted.cc:48
int ClearList()
Definition: diis_unrestricted.cc:152
MatrixSymmetric< real, matri > symmMatrix
Definition: test_LanczosSeveralLargestEig.cc:69
int AddIterationToList(symmMatrix &F_alpha, symmMatrix &F_beta, normalMatrix &E_alpha, normalMatrix &E_beta)
Definition: diis_unrestricted.cc:58
MatrixGeneral< real, matri > normalMatrix
Definition: test_LanczosSeveralLargestEig.cc:71
~DIISManagerUnrestricted()
Definition: diis_unrestricted.cc:53
Definition: diis_general.h:47
int GetCombinedFockMatrices(symmMatrix &result_alpha, symmMatrix &result_beta)
Definition: diis_unrestricted.cc:170
Definition: diis_unrestricted.h:44