AvogadroLibs 2.0.0
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CalcWorker Member List

This is the complete list of members for CalcWorker, including all inherited members.

calculatorReady()CalcWorkersignal
CalcWorker(QObject *parent=nullptr) (defined in CalcWorker)CalcWorkerexplicit
cancel()CalcWorkerslot
evaluateFinished(Eigen::VectorXd gradient, double energy)CalcWorkersignal
initCalculator(Avogadro::Calc::EnergyCalculator *calculator, Avogadro::Core::Molecule molSnapshot, Eigen::VectorXd mask, std::vector< Avogadro::Core::Constraint > constraints)CalcWorkerslot
optimizeFinished(Eigen::VectorXd positions, Eigen::VectorXd gradient, double energy, bool converged)CalcWorkersignal
runEvaluate(Eigen::VectorXd positions, bool computeGradient)CalcWorkerslot
runGradient(Eigen::VectorXd positions)CalcWorkerslot
runOptimizeChunk(Eigen::VectorXd positions, Avogadro::Calc::OptimizationOptions options)CalcWorkerslot
~CalcWorker() override (defined in CalcWorker)CalcWorker