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Scine::Readuct
5.0.0
This is the SCINE module ReaDuct.
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This is the complete list of members for Scine::Readuct::ElementaryStepOptimization::ElementaryStepOptimizerBase, including all inherited members.
| ElementaryStepOptimizerBase()=default | Scine::Readuct::ElementaryStepOptimization::ElementaryStepOptimizerBase | |
| getCalculatorSettings() const =0 | Scine::Readuct::ElementaryStepOptimization::ElementaryStepOptimizerBase | pure virtual |
| getConvergenceCheck() const =0 | Scine::Readuct::ElementaryStepOptimization::ElementaryStepOptimizerBase | pure virtual |
| getReactionProfile()=0 | Scine::Readuct::ElementaryStepOptimization::ElementaryStepOptimizerBase | pure virtual |
| getSettings() const =0 | Scine::Readuct::ElementaryStepOptimization::ElementaryStepOptimizerBase | pure virtual |
| optimize(Core::Log &log)=0 | Scine::Readuct::ElementaryStepOptimization::ElementaryStepOptimizerBase | pure virtual |
| setSettings(const Utils::Settings &settings)=0 | Scine::Readuct::ElementaryStepOptimization::ElementaryStepOptimizerBase | pure virtual |
| ~ElementaryStepOptimizerBase()=default | Scine::Readuct::ElementaryStepOptimization::ElementaryStepOptimizerBase | virtual |