.TH "sc::Optimize" 3 "Sun Oct 4 2020" "Version 2.3.1" "MPQC" \" -*- nroff -*-
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.SH NAME
sc::Optimize \- The \fBOptimize\fP class is an abstract base class for classes that find the extreme points of \fBFunction\fP's\&.  

.SH SYNOPSIS
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.PP
.PP
\fC#include <opt\&.h>\fP
.PP
Inherits \fBsc::SavableState\fP\&.
.PP
Inherited by \fBsc::EFCOpt\fP, \fBsc::GDIISOpt\fP, \fBsc::LineOpt\fP, \fBsc::NewtonOpt\fP, \fBsc::QNewtonOpt\fP, and \fBsc::SteepestDescentOpt\fP\&.
.SS "Public Member Functions"

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.RI "\fBOptimize\fP (\fBStateIn\fP &)"
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.RI "Restore the state of a \fBFunction\fP object\&. "
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.RI "\fBOptimize\fP (const \fBRef\fP< \fBKeyVal\fP > &)"
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.RI "The \fBKeyVal\fP constructor reads the following information: "
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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 "virtual int \fBoptimize\fP ()"
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.RI "Do the optimization\&. "
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.RI "void \fBset_checkpoint\fP ()"
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.RI "Set up for checkpointing\&. "
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.RI "void \fBset_checkpoint_file\fP (const char *)"
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.RI "void \fBset_function\fP (const \fBRef\fP< \fBFunction\fP > &)"
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.RI "Set the function to be optimized\&. "
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.RI "void \fBset_max_iterations\fP (int)"
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.RI "Set the iteration limit\&. "
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.RI "virtual void \fBinit\fP ()"
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.RI "Initialize the optimizer\&. "
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.RI "virtual int \fBupdate\fP ()=0"
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.RI "Take a step\&. "
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.RI "virtual void \fBapply_transform\fP (const \fBRef\fP< \fBNonlinearTransform\fP > &)"
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.RI "\fBRef\fP< \fBFunction\fP > \fBfunction\fP () const"
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.RI "Returns information about the \fBFunction\fP being optimized\&. "
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.RI "\fBRef\fP< \fBSCMatrixKit\fP > \fBmatrixkit\fP () const"
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.RI "\fBRefSCDimension\fP \fBdimension\fP () const"
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.SS "Protected Attributes"

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.RI "int \fBmax_iterations_\fP"
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.RI "int \fBn_iterations_\fP"
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.RI "int \fBckpt_\fP"
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.RI "int \fBprint_timings_\fP"
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.RI "double \fBmax_stepsize_\fP"
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.RI "char * \fBckpt_file\fP"
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.RI "\fBRef\fP< \fBFunction\fP > \fBfunction_\fP"
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.RI "\fBRef\fP< \fBConvergence\fP > \fBconv_\fP"
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.SS "Additional Inherited Members"
.SH "Detailed Description"
.PP 
The \fBOptimize\fP class is an abstract base class for classes that find the extreme points of \fBFunction\fP's\&. 
.SH "Constructor & Destructor Documentation"
.PP 
.SS "sc::Optimize::Optimize (const \fBRef\fP< \fBKeyVal\fP > &)"

.PP
The \fBKeyVal\fP constructor reads the following information: 
.IP "\fB\fCcheckpoint\fP\fP" 1c
If true, the optimization will be checkpointed\&. The default is false\&.
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.IP "\fB\fCcheckpoint_file\fP\fP" 1c
The name of the checkpoint file\&. The name defaults to opt_ckpt\&.dat\&.
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.IP "\fB\fCmax_iterations\fP\fP" 1c
The maximum number of interations\&. The default is 10\&.
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.IP "\fB\fCmax_stepsize\fP\fP" 1c
The maximum stepsize\&. The default is 0\&.6\&.
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.IP "\fB\fCfunction\fP\fP" 1c
A \fBFunction\fP object\&. There is no default\&.
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.IP "\fB\fCconvergence\fP\fP" 1c
This can be either a floating point number or a \fBConvergence\fP object\&. If it is a floating point number then it is the convergence criterion\&. See the description \fBConvergence\fP class for the default\&.
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.PP

.SH "Member Function Documentation"
.PP 
.SS "virtual int sc::Optimize::optimize ()\fC [virtual]\fP"

.PP
Do the optimization\&. Returns nonzero if the optimization is complete\&. 
.SS "void sc::Optimize::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::SteepestDescentOpt\fP, \fBsc::QNewtonOpt\fP, and \fBsc::LineOpt\fP\&.
.SS "virtual int sc::Optimize::update ()\fC [pure virtual]\fP"

.PP
Take a step\&. Returns 1 if the optimization has converged, otherwise 0\&. 
.PP
Implemented in \fBsc::SteepestDescentOpt\fP, \fBsc::QNewtonOpt\fP, \fBsc::Backtrack\fP, \fBsc::NewtonOpt\fP, \fBsc::MCSearch\fP, \fBsc::GDIISOpt\fP, and \fBsc::EFCOpt\fP\&.

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