Searched refs:GetDIIS (Results 1 – 2 of 2) sorted by relevance
704 bool GetDIIS(void) const {return ((ConverganceFlags & 16)?true:false);}; in GetDIIS() function
2698 if (GetDIIS()) File->WriteLine("DIIS=.T. ", false); in WriteToFile()2761 if (GetDIIS()) Ele->addChildElement(CML_convert(MMP_IOSGDIIS), trueXML); in WriteXML()