Scine::Swoose  1.0.0
This is the SCINE module Swoose.
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Scine::MMParametrization::OptimizationSetup Member List

This is the complete list of members for Scine::MMParametrization::OptimizationSetup, including all inherited members.

generateInitialParameters()Scine::MMParametrization::OptimizationSetup
getImproperDihedralForceConstantForPlanarGroups()Scine::MMParametrization::OptimizationSetupstatic
getInitialAngleForceConstant()Scine::MMParametrization::OptimizationSetupstatic
getInitialBondForceConstant()Scine::MMParametrization::OptimizationSetupstatic
getInitialDihedralHalfBarrierHeight()Scine::MMParametrization::OptimizationSetupstatic
getInitialImproperDihedralForceConstantForNonPlanarGroups()Scine::MMParametrization::OptimizationSetupstatic
OptimizationSetup(ParametrizationData &data, std::shared_ptr< Utils::Settings > settings)Scine::MMParametrization::OptimizationSetup