.TH "sc::QNewtonOpt" 3 "Sun Oct 4 2020" "Version 2.3.1" "MPQC" \" -*- nroff -*-
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.SH NAME
sc::QNewtonOpt \- The \fBQNewtonOpt\fP implements a quasi-Newton optimization scheme\&.  

.SH SYNOPSIS
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.PP
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\fC#include <qnewton\&.h>\fP
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Inherits \fBsc::Optimize\fP\&.
.SS "Public Member Functions"

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.RI "\fBQNewtonOpt\fP (const \fBRef\fP< \fBKeyVal\fP > &)"
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.RI "The \fBKeyVal\fP constructor\&. "
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.RI "\fBQNewtonOpt\fP (\fBStateIn\fP &)"
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.RI "void \fBsave_data_state\fP (\fBStateOut\fP &)"
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.RI "Save the base classes (with save_data_state) and the members in the same order that the \fBStateIn\fP CTOR initializes them\&. "
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.RI "void \fBapply_transform\fP (const \fBRef\fP< \fBNonlinearTransform\fP > &)"
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.RI "void \fBinit\fP ()"
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.RI "Initialize the optimizer\&. "
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.RI "int \fBupdate\fP ()"
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.RI "Take a step\&. "
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.SS "Protected Attributes"

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.RI "double \fBmaxabs_gradient\fP"
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.RI "double \fBaccuracy_\fP"
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.RI "\fBRefSymmSCMatrix\fP \fBihessian_\fP"
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.RI "\fBRef\fP< \fBHessianUpdate\fP > \fBupdate_\fP"
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.RI "\fBRef\fP< \fBLineOpt\fP > \fBlineopt_\fP"
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.RI "int \fBtake_newton_step_\fP"
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.RI "int \fBprint_hessian_\fP"
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.RI "int \fBprint_x_\fP"
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.RI "int \fBprint_gradient_\fP"
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.RI "int \fBlinear_\fP"
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.RI "int \fBrestrict_\fP"
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.RI "int \fBdynamic_grad_acc_\fP"
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.RI "int \fBforce_search_\fP"
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.RI "int \fBrestart_\fP"
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.SS "Additional Inherited Members"
.SH "Detailed Description"
.PP 
The \fBQNewtonOpt\fP implements a quasi-Newton optimization scheme\&. 
.SH "Constructor & Destructor Documentation"
.PP 
.SS "sc::QNewtonOpt::QNewtonOpt (const \fBRef\fP< \fBKeyVal\fP > &)"

.PP
The \fBKeyVal\fP constructor\&. The \fBKeyVal\fP constructor reads the following keywords: 
.IP "\fB\fCupdate\fP\fP" 1c
This gives a \fBHessianUpdate\fP object\&. The default is to not update the hessian\&.
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.IP "\fB\fChessian\fP\fP" 1c
By default, the guess hessian is obtained from the \fBFunction\fP object\&. This keyword specifies an lower triangle array (the second index must be less than or equal to than the first) that replaces the guess hessian\&. If some of the elements are not given, elements from the guess hessian will be used\&.
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.IP "\fB\fClineopt\fP\fP" 1c
This gives a \fBLineOpt\fP object for doing line optimizations in the Newton direction\&. The default is to skip the line optimizations\&.
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.IP "\fB\fCaccuracy\fP\fP" 1c
The accuracy with which the first gradient will be computed\&. If this is too large, it may be necessary to evaluate the first gradient point twice\&. If it is too small, it may take longer to evaluate the first point\&. The default is 0\&.0001\&.
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.IP "\fB\fCprint_x\fP\fP" 1c
If true, print the coordinates each iteration\&. The default is false\&.
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.IP "\fB\fCprint_gradient\fP\fP" 1c
If true, print the gradient each iteration\&. The default is false\&.
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.IP "\fB\fCprint_hessian\fP\fP" 1c
If true, print the approximate hessian each iteration\&. The default is false\&.
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.IP "\fB\fCrestrict\fP\fP" 1c
Use step size restriction when not using a line search\&. The default is true\&.
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.SH "Member Function Documentation"
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.SS "void sc::QNewtonOpt::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\&. 
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Reimplemented from \fBsc::Optimize\fP\&.
.SS "int sc::QNewtonOpt::update ()\fC [virtual]\fP"

.PP
Take a step\&. Returns 1 if the optimization has converged, otherwise 0\&. 
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Implements \fBsc::Optimize\fP\&.

.SH "Author"
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Generated automatically by Doxygen for MPQC from the source code\&.