.TH "sc::HessianUpdate" 3 "Sun Oct 4 2020" "Version 2.3.1" "MPQC" \" -*- nroff -*- .ad l .nh .SH NAME sc::HessianUpdate \- The \fBHessianUpdate\fP abstract class is used to specify a hessian update scheme\&. .SH SYNOPSIS .br .PP .PP \fC#include \fP .PP Inherits \fBsc::SavableState\fP\&. .PP Inherited by \fBsc::DFPUpdate\fP, and \fBsc::PowellUpdate\fP\&. .SS "Public Member Functions" .in +1c .ti -1c .RI "\fBHessianUpdate\fP (\fBStateIn\fP &)" .br .ti -1c .RI "\fBHessianUpdate\fP (const \fBRef\fP< \fBKeyVal\fP > &)" .br .ti -1c .RI "void \fBsave_data_state\fP (\fBStateOut\fP &)" .br .RI "Save the base classes (with save_data_state) and the members in the same order that the \fBStateIn\fP CTOR initializes them\&. " .ti -1c .RI "virtual void \fBupdate\fP (const \fBRefSymmSCMatrix\fP &hessian, const \fBRef\fP< \fBFunction\fP > &, const \fBRefSCVector\fP &xnew, const \fBRefSCVector\fP &gnew)=0" .br .ti -1c .RI "virtual void \fBset_inverse\fP ()" .br .ti -1c .RI "virtual void \fBapply_transform\fP (const \fBRef\fP< \fBNonlinearTransform\fP > &)" .br .in -1c .SS "Protected Attributes" .in +1c .ti -1c .RI "int \fBinverse_hessian_\fP" .br .in -1c .SS "Additional Inherited Members" .SH "Detailed Description" .PP The \fBHessianUpdate\fP abstract class is used to specify a hessian update scheme\&. It is used, for example, by \fBQNewtonOpt\fP objects\&. Based on the value of inverse_hessian_ x and g may be reversed (see Schlegel, Ab initio Methods in Quantum Chemistry I, 1987, p 10)\&. .SH "Member Function Documentation" .PP .SS "void sc::HessianUpdate::save_data_state (\fBStateOut\fP &)\fC [virtual]\fP" .PP Save the base classes (with save_data_state) and the members in the same order that the \fBStateIn\fP CTOR initializes them\&. This must be implemented by the derived class if the class has data\&. .PP Reimplemented from \fBsc::SavableState\fP\&. .PP Reimplemented in \fBsc::PowellUpdate\fP, \fBsc::BFGSUpdate\fP, and \fBsc::DFPUpdate\fP\&. .SH "Author" .PP Generated automatically by Doxygen for MPQC from the source code\&.