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AvogadroLibs 2.0.0
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This is the complete list of members for CalcWorker, including all inherited members.
| calculatorReady() | CalcWorker | signal |
| CalcWorker(QObject *parent=nullptr) (defined in CalcWorker) | CalcWorker | explicit |
| cancel() | CalcWorker | slot |
| evaluateFinished(Eigen::VectorXd gradient, double energy) | CalcWorker | signal |
| initCalculator(Avogadro::Calc::EnergyCalculator *calculator, Avogadro::Core::Molecule molSnapshot, Eigen::VectorXd mask, std::vector< Avogadro::Core::Constraint > constraints) | CalcWorker | slot |
| optimizeFinished(Eigen::VectorXd positions, Eigen::VectorXd gradient, double energy, bool converged) | CalcWorker | signal |
| runEvaluate(Eigen::VectorXd positions, bool computeGradient) | CalcWorker | slot |
| runGradient(Eigen::VectorXd positions) | CalcWorker | slot |
| runOptimizeChunk(Eigen::VectorXd positions, Avogadro::Calc::OptimizationOptions options) | CalcWorker | slot |
| ~CalcWorker() override (defined in CalcWorker) | CalcWorker |