Scine::Swoose  2.1.0
This is the SCINE module Swoose.
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Scine::Qmmm::QmmmReferenceDataManager Member List

This is the complete list of members for Scine::Qmmm::QmmmReferenceDataManager, including all inherited members.

calculateData()Scine::Qmmm::QmmmReferenceDataManager
QmmmReferenceDataManager(std::shared_ptr< QmmmCalculator > qmmmCalculator, const Utils::Settings &settings, Core::Log &log, const Utils::AtomCollection &structure, const Utils::BondOrderCollection &bondOrders, const std::vector< QmmmModel > &qmmmModelCandidates, const std::vector< QmmmModel > &qmmmReferenceModels)Scine::Qmmm::QmmmReferenceDataManager