votca 2024.2-dev
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votca::xtp::BFGSTRM Member List

This is the complete list of members for votca::xtp::BFGSTRM, including all inherited members.

AcceptRejectStep(const Eigen::VectorXd &delta_pos, const Eigen::VectorXd &gradient, double energy_delta)votca::xtp::BFGSTRMprivate
BFGSTRM(Optimiser_costfunction &costfunction)votca::xtp::BFGSTRMinline
callbacks_votca::xtp::BFGSTRMprivate
cost_votca::xtp::BFGSTRMprivate
costfunction_votca::xtp::BFGSTRMprivate
errormessage_votca::xtp::BFGSTRMprivate
getCost() constvotca::xtp::BFGSTRMinline
getErrorMessage() constvotca::xtp::BFGSTRMinline
getIteration() constvotca::xtp::BFGSTRMinline
getParameters() constvotca::xtp::BFGSTRMinline
getTrustRadius() constvotca::xtp::BFGSTRMinline
hessian_votca::xtp::BFGSTRMprivate
iteration_votca::xtp::BFGSTRMprivate
max_iteration_votca::xtp::BFGSTRMprivate
Optimize(const Eigen::VectorXd &initialparameters)votca::xtp::BFGSTRM
parameters_votca::xtp::BFGSTRMprivate
pLog_votca::xtp::BFGSTRMprivate
QuadraticEnergy(const Eigen::VectorXd &gradient, const Eigen::VectorXd &delta_pos) constvotca::xtp::BFGSTRMprivate
setCallbacks(const std::vector< std::function< void()> > &callbacks)votca::xtp::BFGSTRMinline
setInitialHessian(const Eigen::MatrixXd &hessian)votca::xtp::BFGSTRMinline
setLog(Logger *pLog)votca::xtp::BFGSTRMinline
setNumofIterations(Index iterations)votca::xtp::BFGSTRMinline
setTrustRadius(double trust_radius)votca::xtp::BFGSTRMinline
Success() constvotca::xtp::BFGSTRMinline
success_votca::xtp::BFGSTRMprivate
trust_radius_votca::xtp::BFGSTRMprivate
UpdateHessian(const Eigen::VectorXd &delta_pos, const Eigen::VectorXd &delta_gradient)votca::xtp::BFGSTRMprivate
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