Scine::Readuct  6.0.0
This is the SCINE module ReaDuct.
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Class List
Here are the classes, structs, unions and interfaces with brief descriptions:
[detail level 12345]
oNScine
|oNReaduct
||oNElementaryStepOptimization
|||oNCostBasedOptimization
||||oCCommonTerms
||||oCCostCombiner
||||oCCostCombinerEditor
||||oCElasticPath
||||oCElasticPathEditor
||||oCEnergy
||||oCEnergyEditor
||||oCIntegratingCostCalculator
||||oCReactionPathCostCalculatorInterface for the cost calculation of reaction paths
||||\CReaductDefault
|||oCBinaryArrayIO
|||oCBSplineProfileCalculator
|||oCElementaryStepOptimizerBaseThe base class for all reaction path optimizers. The only purpose of this base class is to hide the template parameters
|||oCElementaryStepOptimizerA class to optimize reaction paths based on the B-Splines approach described in Alain Vaucher's Ph. D. thesis
|||oCElementaryStepOptimizerSettingsSettings for an ElementaryStepOptimizer
|||oCEnergiesAndGradientsAlongSpline
|||oCPointSequence
|||oCProfileEnergies
|||oCReactionProfile
|||oCRecurringProfileCalculator
|||\CTypeConverter
||oNTests
|||\CCommonCostTerms
||oCAfirOptimizationTask
||oCBondOrderTask
||oCBSplineInterpolationTask
||oCGeometryOptimizationTask
||oCHessianTask
||oCIntegralTaskThis tasks writes integrals, such as the one-electron integrals, to file
||oCIrcTaskA task to run an IRC optimization using a given normal mode
||oCNtOptimization2Task
||oCNtOptimizationTask
||oCSinglePointTask
||oCTaskThe base class for all tasks in Readuct
||oCTaskFactoryA factory generating Tasks by name (mainly)
||oCTsOptimizationTask
||\CReaductModule
|\NUtils
| oNBSplines
| oNExternalQC
| \NGeometry
\Ntest_readuct
 oCCalculation
 oCTestReaductBase
 oCTestReaductFast
 \CTestReaductSlow