Scine::Readuct  6.0.0
This is the SCINE module ReaDuct.
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Pages
Scine::Readuct::ElementaryStepOptimization::BSplineProfileCalculator Member List

This is the complete list of members for Scine::Readuct::ElementaryStepOptimization::BSplineProfileCalculator, including all inherited members.

BSplineProfileCalculator(Core::Calculator &calculator) (defined in Scine::Readuct::ElementaryStepOptimization::BSplineProfileCalculator)Scine::Readuct::ElementaryStepOptimization::BSplineProfileCalculatorexplicit
calculateAllEnergies(const Utils::BSplines::BSpline &spline, const std::vector< double > &uValues, std::vector< double > &energies) (defined in Scine::Readuct::ElementaryStepOptimization::BSplineProfileCalculator)Scine::Readuct::ElementaryStepOptimization::BSplineProfileCalculator
calculateAllEnergiesAndGradients(const Utils::BSplines::BSpline &spline, const std::vector< double > &uValues, std::vector< double > &energies, std::vector< Utils::GradientCollection > &gradients) (defined in Scine::Readuct::ElementaryStepOptimization::BSplineProfileCalculator)Scine::Readuct::ElementaryStepOptimization::BSplineProfileCalculator
calculateAllUpToSecondDerivative(const Utils::BSplines::BSpline &spline, const std::vector< double > &uValues, std::vector< double > &energies, std::vector< Utils::GradientCollection > &gradients, std::vector< Eigen::MatrixXd > &hessians) (defined in Scine::Readuct::ElementaryStepOptimization::BSplineProfileCalculator)Scine::Readuct::ElementaryStepOptimization::BSplineProfileCalculator
calculateEnergy(const Utils::BSplines::BSpline &spline, double u, double &energy) (defined in Scine::Readuct::ElementaryStepOptimization::BSplineProfileCalculator)Scine::Readuct::ElementaryStepOptimization::BSplineProfileCalculator
calculateEnergyAndGradients(const Utils::BSplines::BSpline &spline, double u, double &energy, Utils::GradientCollection &gradients) (defined in Scine::Readuct::ElementaryStepOptimization::BSplineProfileCalculator)Scine::Readuct::ElementaryStepOptimization::BSplineProfileCalculator
calculateUpToSecondDerivatives(const Utils::BSplines::BSpline &spline, double u, double &energy, Utils::GradientCollection &gradients, Eigen::MatrixXd &hessians) (defined in Scine::Readuct::ElementaryStepOptimization::BSplineProfileCalculator)Scine::Readuct::ElementaryStepOptimization::BSplineProfileCalculator
positionsForUValue(const Utils::BSplines::BSpline &spline, double u) const (defined in Scine::Readuct::ElementaryStepOptimization::BSplineProfileCalculator)Scine::Readuct::ElementaryStepOptimization::BSplineProfileCalculator