Searched refs:particleType2 (Results 1 – 3 of 3) sorted by relevance
157 for (const auto& particleType2 : singleParticleInteractionsMap_) in generateTable() local159 C6 c6_2 = std::get<0>(particleType2.second); in generateTable()160 C12 c12_2 = std::get<1>(particleType2.second); in generateTable()165 nonbondedParameters_.setInteractions(particleType1.first, particleType2.first, c6_combo, in generateTable()
231 for (const auto& particleType2 : particleTypes_) in buildTopology() local234 ParticleTypeName(particleType2.first)); in buildTopology()239 particleType1.first, particleType2.first); in buildTopology()
159 for (const ParticleType& particleType2 : particleTypes) in setNonBondedParameters() local162 … nonBondedInteractionMap.getC6(particleType1.name(), particleType2.name()) * c6factor); in setNonBondedParameters()164 … nonBondedInteractionMap.getC12(particleType1.name(), particleType2.name()) * c12factor); in setNonBondedParameters()