Scine::Readuct  6.0.0
This is the SCINE module ReaDuct.
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Class Hierarchy

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This inheritance list is sorted roughly, but not completely, alphabetically:
[detail level 123]
oCScine::Readuct::ElementaryStepOptimization::BinaryArrayIO
oCScine::Readuct::ElementaryStepOptimization::BSplineProfileCalculator
oCtest_readuct.Calculation
oCScine::Readuct::ElementaryStepOptimization::CostBasedOptimization::CommonTerms
oCScine::Readuct::ElementaryStepOptimization::ElementaryStepOptimizerBaseThe base class for all reaction path optimizers. The only purpose of this base class is to hide the template parameters
|\CScine::Readuct::ElementaryStepOptimization::ElementaryStepOptimizer< OptimizerType >A class to optimize reaction paths based on the B-Splines approach described in Alain Vaucher's Ph. D. thesis
oCScine::Readuct::ElementaryStepOptimization::EnergiesAndGradientsAlongSpline
oCScine::Utils::UniversalSettings::GenericInstanceEditorImpl< class, class > [external]
|\CScine::Utils::UniversalSettings::GenericInstanceEditorWithDefaultConstructorImpl< class, class > [external]
| oCScine::Readuct::ElementaryStepOptimization::CostBasedOptimization::CostCombinerEditor< E1, E2 >
| oCScine::Readuct::ElementaryStepOptimization::CostBasedOptimization::ElasticPathEditor
| \CScine::Readuct::ElementaryStepOptimization::CostBasedOptimization::EnergyEditor
oCScine::Core::Module [external]
|\CScine::Readuct::ReaductModule
oCScine::Readuct::ElementaryStepOptimization::PointSequence
oCScine::Readuct::ElementaryStepOptimization::ProfileEnergies
oCScine::Readuct::ElementaryStepOptimization::CostBasedOptimization::ReactionPathCostCalculatorInterface for the cost calculation of reaction paths
|oCScine::Readuct::ElementaryStepOptimization::CostBasedOptimization::CostCombiner< Scine::Readuct::ElementaryStepOptimization::CostBasedOptimization::Energy, Scine::Readuct::ElementaryStepOptimization::CostBasedOptimization::ElasticPath >
|oCScine::Readuct::ElementaryStepOptimization::CostBasedOptimization::CostCombiner< C1, C2 >
|oCScine::Readuct::ElementaryStepOptimization::CostBasedOptimization::IntegratingCostCalculator
||oCScine::Readuct::ElementaryStepOptimization::CostBasedOptimization::ElasticPath
||\CScine::Readuct::ElementaryStepOptimization::CostBasedOptimization::Energy
|\CScine::Readuct::ElementaryStepOptimization::CostBasedOptimization::ReaductDefault
oCScine::Readuct::ElementaryStepOptimization::ReactionProfile
oCScine::Readuct::ElementaryStepOptimization::RecurringProfileCalculator
oCScine::Readuct::TaskThe base class for all tasks in Readuct
|oCScine::Readuct::AfirOptimizationTask
|oCScine::Readuct::BondOrderTask
|oCScine::Readuct::BSplineInterpolationTask
|oCScine::Readuct::GeometryOptimizationTask
|oCScine::Readuct::HessianTask
|oCScine::Readuct::IntegralTaskThis tasks writes integrals, such as the one-electron integrals, to file
|oCScine::Readuct::IrcTaskA task to run an IRC optimization using a given normal mode
|oCScine::Readuct::NtOptimization2Task
|oCScine::Readuct::NtOptimizationTask
|oCScine::Readuct::SinglePointTask
|\CScine::Readuct::TsOptimizationTask
oCScine::Readuct::TaskFactoryA factory generating Tasks by name (mainly)
oCTest
|\CScine::Readuct::Tests::CommonCostTerms
oCTestCase
|\Ctest_readuct.TestReaductBase
| oCtest_readuct.TestReaductFast
| \Ctest_readuct.TestReaductSlow
oCScine::Readuct::ElementaryStepOptimization::TypeConverter
\CScine::Utils::UniversalSettings::ValueCollection [external]
 \CScine::Utils::Settings [external]
  \CScine::Readuct::ElementaryStepOptimization::ElementaryStepOptimizerSettings< OptimizerType, ConvergenceCheckType >Settings for an ElementaryStepOptimizer