Getting Started
Front Matter
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Using PyCharm
GCC Licensing
How to import the toolkits
Release Notes
Release Highlights 2018.Oct
Detailed Release Notes
Previous Release Highlights
Toolkit API
Release Cycle
OEChem Toolkit
Introduction
OEChem Theory
OESystem Theory
OEBio Theory
OEGrid Theory
Examples
OEChem API
OESystem API
OEPlatform API
OEMath API
OEBio API
Release Notes
Glossary and Bibliography
Indices and tables
OEDepict Toolkit
Introduction
Theory
Examples
Appendices
API
Release Notes
Glossary and Bibliography
Indices and Tables
Grapheme Toolkit
Introduction
Theory
Examples
API
Preliminary API
Release Notes
Indices and Tables
GraphSim Toolkit
Introduction
Theory
Examples
API
Release Notes
Glossary and Bibliography
Indices and Tables
Lexichem Toolkit
Theory
Examples
API
Release Notes
Bibliography
Indices and Tables
OEMedChem Toolkit
Introduction
Theory
Examples
API
Release Notes
Bibliography
Indices and Tables
MolProp Tookit
Theory
Examples
API
Release Notes
Bibliography
Indices and Tables
Quacpac Toolkit
Theory
Examples
API
Release Notes
Bibliography
Indices and Tables
OEFF Toolkit
Theory
Examples
API
Release Notes
Bibliography
Indices and Tables
OEDocking Toolkit
Introduction
Theory
API
Release Notes
Bibliography
Indices and Tables
Omega Toolkit
Theory
Examples
API
Preliminary API
Release Notes
Bibliography
Indices and Tables
Shape Toolkit
Theory
Examples
API
Deprecated API
Release Notes
Bibliography
Indices and Tables
Spicoli Toolkit
Theory
API
Release Notes
Glossary and Bibliography
Indices and Tables
Spruce Toolkit
Introduction
Theory
Examples
Preliminary API
Release Notes
Indices and Tables
Szmap Toolkit
Introduction
Theory and Examples
API
Release Notes
Bibliography
Indices and Tables
Szybki Toolkit
Theory
API
Examples
Release Notes
Bibliography
Indices and Tables
Zap Toolkit
Theory and Examples
API
Release Notes
Reference
FastROCS Toolkit
Introduction
Theory
Examples
Tutorials
API
Release Notes
Bibliography
Indices and Tables
Toolkits-2018.Oct.1-python
Docs
»
OEFF Toolkit 2.0.3
»
OEOpt Classes
OEOpt Classes
ΒΆ
OEAdaptor
OEBFGSOpt
Constructors
operator=
GetHessianDimension
GetInverseHessian
GetKeepHessian
SetKeepHessian
UseSavedHessian
OECGLineMinimize
Constructors
OECheckpoint0
operator()
OECheckpoint1
operator()
OEConjGradOpt
Constructors
operator=
OEDFPOpt
Constructors
operator=
OEFComponent
Constructors
OEFletcherReevesOpt
Constructors
operator=
OEFunc0
operator()
GetFComponents
NumVar
OEFunc1
OEFunc2
operator()
OEHestenesStiefelOpt
Constructors
operator=
OELineMinimize
operator()
SetMaxStep
CreateCopy
OEMaxStepLineMinimize
Constructors
operator=
OENRLineSearch
Constructors
OEOptimizer0
operator()
SetIterLimit
OEOptimizer1
operator()
SetIterLimit
SetLineMinimize
SetTolerance
OEOptimizer2
operator()
SetIterLimit
SetTolerance
OEQNLineMinimize
Constructors
OERibierePolakOpt
Constructors
operator=
OESteepestDescentOpt
Constructors
SetInitialStep
OENewtonOpt
Constructors
operator=