39#ifndef DIIS_UNRESTRICTED_HEADER
40#define DIIS_UNRESTRICTED_HEADER
Definition diis_unrestricted.h:45
int GetCombinedFockMatrices(symmMatrix &result_alpha, symmMatrix &result_beta)
Definition diis_unrestricted.cc:170
int AddIterationToList(symmMatrix &F_alpha, symmMatrix &F_beta, normalMatrix &E_alpha, normalMatrix &E_beta)
Definition diis_unrestricted.cc:58
DIISManagerUnrestricted()
Definition diis_unrestricted.cc:48
~DIISManagerUnrestricted()
Definition diis_unrestricted.cc:53
int ClearList()
Definition diis_unrestricted.cc:152
Definition diis_general.h:48
General DIISManager class that can be used as a base class in implementations of direct inversion in ...
MatrixSymmetric< real, matri > symmMatrix
Definition test_LanczosSeveralLargestEig.cc:69
MatrixGeneral< real, matri > normalMatrix
Definition test_LanczosSeveralLargestEig.cc:71