Getting Started
OEToolkits 2020.2
Toolkit API
Release Cycle
OEChem Toolkit
OEDepict Toolkit
OEDocking Toolkit
Grapheme Toolkit
GraphSim Toolkit
Lexichem Toolkit
OEMedChem Toolkit
MolProp Toolkit
Omega Toolkit
Quacpac Toolkit
Theory
Examples
API
OEProton Classes
OEProton Constants
OEProton Functions
OEMolAM1 Classes
OEAM1
OEAM1Options
OEAM1Results
OEOptimizedAM1
OEMolAM1 Constants
OEMolAM1 Constants
OEAM1BCC Functions
Preliminary API
Release Notes
Bibliography
Indices and Tables
Shape Toolkit
Spicoli Toolkit
Szmap Toolkit
Szybki Toolkit
Zap Toolkit
Toolkits--csharp
Docs
»
Quacpac Toolkit 2.1.1.0
»
OEMolAM1 Classes
OEMolAM1 Classes
ΒΆ
OEAM1
Constructors
operator=
CalcAM1
GetOptions
GetResults
OEAM1Options
Constructors
operator=
GetMaxScfIter
GetNumericGradDelta
GetSCFTolerance
GetSemiMethod
SetMaxScfIter
SetNumericGradDelta
SetSCFTolerance
SetSemiMethod
OEAM1Results
Constructors
operator=
GetAtomicBondOrder
GetBondOrder
GetBondOrders
GetCharges
GetEnergy
GetNumSCFCycles
IsConverged
OEOptimizedAM1
Constructors
operator=
CalcAM1