#include <diis_unrestricted.h>
Inheritance diagram for DIISManagerUnrestricted:
Public Member Functions | |
DIISManagerUnrestricted () | |
~DIISManagerUnrestricted () | |
int | AddIterationToList (symmMatrix &F_alpha, symmMatrix &F_beta, normalMatrix &E_alpha, normalMatrix &E_beta) |
int | ClearList () |
int | GetCombinedFockMatrices (symmMatrix &result_alpha, symmMatrix &result_beta) |
DIISManagerUnrestricted::DIISManagerUnrestricted | ( | ) |
DIISManagerUnrestricted::~DIISManagerUnrestricted | ( | ) |
int DIISManagerUnrestricted::AddIterationToList | ( | symmMatrix & | F_alpha, | |
symmMatrix & | F_beta, | |||
normalMatrix & | E_alpha, | |||
normalMatrix & | E_beta | |||
) |
int DIISManagerUnrestricted::ClearList | ( | ) |
int DIISManagerUnrestricted::GetCombinedFockMatrices | ( | symmMatrix & | result_alpha, | |
symmMatrix & | result_beta | |||
) |