| addATParametersToSite(const intType siteId, const floatType nu) | ParticlePropertiesLibrary< floatType, intType > | |
| addLJParametersToSite(const intType siteId, const floatType epsilon, const floatType sigma) | ParticlePropertiesLibrary< floatType, intType > | |
| addMolType(const intType molId, const std::vector< intType > siteIds, const std::vector< std::array< floatType, 3 > > relPos, const std::array< floatType, 3 > momentOfInertia) | ParticlePropertiesLibrary< floatType, intType > | |
| addSiteType(const intType siteId, const floatType mass) | ParticlePropertiesLibrary< floatType, intType > | |
| calcShift6(double epsilon24, double sigmaSquared, double cutoffSquared) | ParticlePropertiesLibrary< floatType, intType > | static |
| calculateMixingCoefficients() | ParticlePropertiesLibrary< floatType, intType > | |
| getATMixingData(intType i, intType j, intType k) const | ParticlePropertiesLibrary< floatType, intType > | inline |
| getEpsilon(intType i) const | ParticlePropertiesLibrary< floatType, intType > | |
| getLJMixingData(intType i, intType j) const | ParticlePropertiesLibrary< floatType, intType > | inline |
| getLJMixingDataPtr(intType i, intType j) | ParticlePropertiesLibrary< floatType, intType > | inline |
| getMixing24Epsilon(intType i, intType j) const | ParticlePropertiesLibrary< floatType, intType > | inline |
| getMixingNu(intType i, intType j, intType k) const | ParticlePropertiesLibrary< floatType, intType > | inline |
| getMixingShift6(intType i, intType j) const | ParticlePropertiesLibrary< floatType, intType > | inline |
| getMixingSigmaSquared(intType i, intType j) const | ParticlePropertiesLibrary< floatType, intType > | inline |
| getMoleculesLargestSigma(intType i) const | ParticlePropertiesLibrary< floatType, intType > | |
| getMolMass(intType i) const | ParticlePropertiesLibrary< floatType, intType > | |
| getMomentOfInertia(intType i) const | ParticlePropertiesLibrary< floatType, intType > | |
| getNu(intType i) const | ParticlePropertiesLibrary< floatType, intType > | |
| getNumberRegisteredMolTypes() const | ParticlePropertiesLibrary< floatType, intType > | inline |
| getNumberRegisteredSiteTypes() const | ParticlePropertiesLibrary< floatType, intType > | inline |
| getNumSites(intType i) const | ParticlePropertiesLibrary< floatType, intType > | |
| getSigma(intType i) const | ParticlePropertiesLibrary< floatType, intType > | |
| getSiteMass(intType i) const | ParticlePropertiesLibrary< floatType, intType > | |
| getSitePositions(intType i) const | ParticlePropertiesLibrary< floatType, intType > | |
| getSiteTypes(intType i) const | ParticlePropertiesLibrary< floatType, intType > | |
| operator=(const ParticlePropertiesLibrary &particlePropertiesLibrary)=default | ParticlePropertiesLibrary< floatType, intType > | |
| ParticlePropertiesLibrary(const double cutoff) | ParticlePropertiesLibrary< floatType, intType > | inlineexplicit |
| ParticlePropertiesLibrary(const ParticlePropertiesLibrary &particlePropertiesLibrary)=default | ParticlePropertiesLibrary< floatType, intType > | |
| ~ParticlePropertiesLibrary()=default (defined in ParticlePropertiesLibrary< floatType, intType >) | ParticlePropertiesLibrary< floatType, intType > | |
3.0.0
1.9.7