STORMM Source Documentation
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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) const | stormm::structure::ComboGraphLJModel | |
getAtomTypeUnionSize() | stormm::structure::ComboGraphLJModel | |
getBCoefficients(int index) const | stormm::structure::ComboGraphLJModel | |
getDefaultCombiningRule() const | stormm::structure::ComboGraphLJModel | |
getMatrixSize(int index) const | stormm::structure::ComboGraphLJModel | |
getPrimaryTopologyRule() const | stormm::structure::ComboGraphLJModel | |
getSecondaryTopologyRule(int index) const | stormm::structure::ComboGraphLJModel | |
getSetCount() const | stormm::structure::ComboGraphLJModel |