OEFF Toolkit 2.9.0.1¶
Attention
OEFF TK is currently only available in C++ and Python.
- Theory
- OEFF Examples
- OEFF API
- OEOpt Classes
- OEAdaptor
- OEBFGSOpt
- OECGLineMinimize
- OECheckpoint0
- OECheckpoint1
- OEConjGradOpt
- OEDFPOpt
- OEFComponent
- OEFletcherReevesOpt
- OEFunc0
- OEFunc1
- OEFunc2
- OEHestenesStiefelOpt
- OELineMinimize
- OEMaxStepLineMinimize
- OENRLineSearch
- OEOptimizer0
- OEOptimizer1
- OEOptimizer2
- OEQNLineMinimize
- OERibierePolakOpt
- OESteepestDescentOpt
- OENewtonOpt
- OEMolPotential Classes
- OEBendParams
- OEBendPotential
- OECoulombPotential
- OEFFParams
- OEFFPotential
- OEForceField
- OEGenericFF
- OEGenericFF2
- OEInteraction
- OEInteractParams
- OEInterAdaptor
- OEInterCoulombPotential
- OEInterMolFunc1
- OEInterMolFunc2
- OEInterNonBondPotBase
- OEInterNonBondPotential
- OEInterVdwPotential
- OEMolAdaptor
- OEMolAdaptor2
- OEMolFunc
- OEMolFunc0
- OEMolFunc1
- OEMolFunc2
- OENonBondPotBase
- OENonBondPotential
- OENonBondIntcsOptions
- OENumericMolFunc2
- OEOutOfPlaneParams
- OEOutOfPlanePotential
- OEQuatAdaptor
- OEScaledMolFunc
- OEStretchParams
- OEStretchPotential
- OESubsetAdaptor
- OETorAdaptor
- OETorQuatAdaptor
- OETorsionParams
- OETorsionPotential
- OEVdwParams
- OEVdwPotential
- OEMolPotential Constants
- OEConstr Classes
- OEMolMMFF Classes
- OEMolMMFF Functions
- OEMolSmirnoff Classes
- OEMolSmirnoff Constants
- OESheff Classes
- OESheff Constants
- OEFF Classes
- OEComplexEnergies
- OEComplexFF
- OEComplexFFParameter
- OEFF14SBParsleyComplex
- OEFF14SBSmirnoffComplex
- OEForceFieldParameter
- OEMMFFAmberComplex
- OEMMFFComplex
- OEMMFFIEFF
- OEMMFFIEFFOptions
- OEMMFFSheffield
- OEMMFFSheffieldOptions
- OEFF14SBParsleyComplex
- OEFF14SBSageComplex
- OEFF14SBSmirnoff
- OEFF14SBSmirnoffParams
- OEFF14SBSage
- OEFF14SBSageParams
- OEFF14SBParsley
- OEFF14SBParsleyParams
- OESmirnoffComplex
- OEFF Functions
- OEFF Constants
- OEOpt Classes
- Release History