STORMM Source Documentation
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stormm::structure::ComboGraphLJModel Member List

This is the complete list of members for stormm::structure::ComboGraphLJModel, including all inherited members.

addCombination(const T *lja_in, const T *ljb_in, int lj_type_count, const char4 *lj_type_names=nullptr, const std::vector< PairLJInteraction > &edits={})stormm::structure::ComboGraphLJModel
addCombination(const std::vector< T > &lja_in, const std::vector< T > &ljb_in, const std::vector< char4 > &lj_type_names={}, const std::vector< PairLJInteraction > &edits={}) (defined in stormm::structure::ComboGraphLJModel)stormm::structure::ComboGraphLJModel
addCombination(const AtomGraph *ag_secondary, const std::vector< PairLJInteraction > &edits={}) (defined in stormm::structure::ComboGraphLJModel)stormm::structure::ComboGraphLJModel
addCombination(const AtomGraph &ag_secondary, const std::vector< PairLJInteraction > &edits={}) (defined in stormm::structure::ComboGraphLJModel)stormm::structure::ComboGraphLJModel
ComboGraphLJModel(const AtomGraph *primary_ag_in, const AtomGraph *ag_secondary_in=nullptr, VdwCombiningRule default_rule_in=VdwCombiningRule::LORENTZ_BERTHELOT, const std::vector< PairLJInteraction > &edits={})stormm::structure::ComboGraphLJModel
ComboGraphLJModel(const AtomGraph &primary_ag_in, const AtomGraph &ag_secondary_in, VdwCombiningRule default_rule_in=VdwCombiningRule::LORENTZ_BERTHELOT, const std::vector< PairLJInteraction > &edits={}) (defined in stormm::structure::ComboGraphLJModel)stormm::structure::ComboGraphLJModel
ComboGraphLJModel(const AtomGraph &primary_ag_in, const AtomGraphSynthesis &poly_ag_secondary, VdwCombiningRule default_rule_in=VdwCombiningRule::LORENTZ_BERTHELOT, const std::vector< PairLJInteraction > &edits={}) (defined in stormm::structure::ComboGraphLJModel)stormm::structure::ComboGraphLJModel
ComboGraphLJModel(const AtomGraph *primary_ag_in, const std::vector< double > &lj_a_in, const std::vector< double > &lj_b_in, const std::vector< char4 > &lj_type_names={}, VdwCombiningRule default_rule_in=VdwCombiningRule::LORENTZ_BERTHELOT, const std::vector< PairLJInteraction > &edits={}) (defined in stormm::structure::ComboGraphLJModel)stormm::structure::ComboGraphLJModel
ComboGraphLJModel(const AtomGraph &primary_ag_in, const std::vector< double > &lj_a_in, const std::vector< double > &lj_b_in, const std::vector< char4 > &lj_type_names={}, VdwCombiningRule default_rule_in=VdwCombiningRule::LORENTZ_BERTHELOT, const std::vector< PairLJInteraction > &edits={}) (defined in stormm::structure::ComboGraphLJModel)stormm::structure::ComboGraphLJModel
computeConsensusParameters() const (defined in stormm::structure::ComboGraphLJModel)stormm::structure::ComboGraphLJModel
getACoefficients(int index) conststormm::structure::ComboGraphLJModel
getAtomTypeUnionSize()stormm::structure::ComboGraphLJModel
getBCoefficients(int index) conststormm::structure::ComboGraphLJModel
getDefaultCombiningRule() conststormm::structure::ComboGraphLJModel
getMatrixSize(int index) conststormm::structure::ComboGraphLJModel
getPrimaryTopologyRule() conststormm::structure::ComboGraphLJModel
getSecondaryTopologyRule(int index) conststormm::structure::ComboGraphLJModel
getSetCount() conststormm::structure::ComboGraphLJModel