- Generated on Thu Dec 28 2023 13:22:53 for OpenMD by
1.10.0
|
OpenMD 3.0
Molecular Dynamics in the Open
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This is the complete list of members for OpenMD::Globals, including all inherited members.
| addComponent(Component *comp) (defined in OpenMD::Globals) | OpenMD::Globals | |
| addFluctuatingChargeParameters(FluctuatingChargeParameters *flucqPars) (defined in OpenMD::Globals) | OpenMD::Globals | |
| addFragmentStamp(FragmentStamp *fragStamp) (defined in OpenMD::Globals) | OpenMD::Globals | |
| addMinimizerParameters(MinimizerParameters *miniPars) (defined in OpenMD::Globals) | OpenMD::Globals | |
| addMoleculeStamp(MoleculeStamp *molStamp) (defined in OpenMD::Globals) | OpenMD::Globals | |
| addRestraintStamp(RestraintStamp *rest) (defined in OpenMD::Globals) | OpenMD::Globals | |
| addRNEMDParameters(RNEMD::RNEMDParameters *rnemdPars) (defined in OpenMD::Globals) | OpenMD::Globals | |
| addZConsStamp(ZConsStamp *zcons) (defined in OpenMD::Globals) | OpenMD::Globals | |
| assign(const std::string &keyword, T val) (defined in OpenMD::DataHolder) | OpenMD::DataHolder | inline |
| DataHolder() (defined in OpenMD::DataHolder) | OpenMD::DataHolder | inline |
| DeclareAlterableParameter(MDfileVersion, int) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(ForceField, std::string) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(TargetTemp, RealType) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(Ensemble, std::string) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(Dt, RealType) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(RunTime, RealType) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(FinalConfig, std::string) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(SampleTime, RealType) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(ResetTime, RealType) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(StatusTime, RealType) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(CutoffRadius, RealType) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(SwitchingRadius, RealType) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(TempSet, bool) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(ThermalTime, RealType) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(UsePeriodicBoundaryConditions, bool) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(TargetPressure, RealType) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(UseAtomicVirial, bool) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(UseLongRangeCorrections, bool) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(TauThermostat, RealType) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(TauBarostat, RealType) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(LangevinPistonDrag, RealType) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(ZconsTime, RealType) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(ZconsTol, RealType) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(ZconsForcePolicy, std::string) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(Seed, unsigned long int) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(UseInitalTime, bool) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(UseIntialExtendedSystemState, bool) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(OrthoBoxTolerance, RealType) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(ZconsGap, RealType) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(ZconsFixtime, RealType) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(ZconsUsingSMD, bool) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(UseThermodynamicIntegration, bool) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(ThermodynamicIntegrationLambda, RealType) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(ThermodynamicIntegrationK, RealType) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(ForceFieldVariant, std::string) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(ForceFieldFileName, std::string) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(SurfaceTension, RealType) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(PrintPressureTensor, bool) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(PrintVirialTensor, bool) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(PrintHeatFlux, bool) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(TaggedAtomPair, intPair) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(PrintTaggedPairDistance, bool) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(ElectrostaticSummationMethod, std::string) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(ElectrostaticScreeningMethod, std::string) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(UseSurfaceTerm, bool) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(UseSlabGeometry, bool) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(DampingAlpha, RealType) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(Dielectric, RealType) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(CutoffMethod, std::string) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(SwitchingFunctionType, std::string) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(CompressDumpFile, bool) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(OutputForceVector, bool) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(OutputParticlePotential, bool) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(OutputElectricField, bool) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(OutputFluctuatingCharges, bool) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(OutputSitePotential, bool) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(OutputDensity, bool) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(SkinThickness, RealType) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(StatFileFormat, std::string) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(StatFilePrecision, int) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(HydroPropFile, std::string) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(Viscosity, RealType) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(BeadSize, RealType) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(UseSphericalBoundaryConditions, bool) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(FrozenBufferRadius, RealType) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(LangevinBufferRadius, RealType) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(AccumulateBoxDipole, bool) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(AccumulateBoxQuadrupole, bool) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(NeighborListNeighbors, int) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(UseMultipleTemperatureMethod, bool) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(MTM_Ce, RealType) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(MTM_G, RealType) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(MTM_Io, RealType) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(MTM_Sigma, RealType) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(MTM_R, RealType) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(UseRestraints, bool) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(Restraint_file, std::string) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(HULL_Method, std::string) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(Alpha, RealType) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(UniformField, std::vector< RealType >) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(MagneticField, std::vector< RealType >) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(UniformGradientStrength, RealType) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(UniformGradientDirection1, std::vector< RealType >) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(UniformGradientDirection2, std::vector< RealType >) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(ElectricField, std::vector< RealType >) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(ConstraintTime, RealType) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(PotentialSelection, std::string) (defined in OpenMD::Globals) | OpenMD::Globals | |
| DeclareParameter(PrivilegedAxis, std::string) (defined in OpenMD::Globals) | OpenMD::Globals | |
| deprecatedKeywords_ (defined in OpenMD::DataHolder) | OpenMD::DataHolder | protected |
| getComponentAt(int index) (defined in OpenMD::Globals) | OpenMD::Globals | inline |
| getComponents() (defined in OpenMD::Globals) | OpenMD::Globals | inline |
| getFluctuatingChargeParameters() (defined in OpenMD::Globals) | OpenMD::Globals | inline |
| getMinimizerParameters() (defined in OpenMD::Globals) | OpenMD::Globals | inline |
| getNComponents() (defined in OpenMD::Globals) | OpenMD::Globals | inline |
| getNRestraintStamps() (defined in OpenMD::Globals) | OpenMD::Globals | inline |
| getNZconsStamps() (defined in OpenMD::Globals) | OpenMD::Globals | inline |
| getRestraintStampAt(int index) (defined in OpenMD::Globals) | OpenMD::Globals | inline |
| getRestraintStamps() (defined in OpenMD::Globals) | OpenMD::Globals | inline |
| getRNEMDParameters() (defined in OpenMD::Globals) | OpenMD::Globals | inline |
| getZconsStampAt(int index) (defined in OpenMD::Globals) | OpenMD::Globals | inline |
| getZconsStamps() (defined in OpenMD::Globals) | OpenMD::Globals | inline |
| Globals() (defined in OpenMD::Globals) | OpenMD::Globals | |
| intPair typedef (defined in OpenMD::Globals) | OpenMD::Globals | |
| parameters_ (defined in OpenMD::DataHolder) | OpenMD::DataHolder | protected |
| ParamMap typedef (defined in OpenMD::DataHolder) | OpenMD::DataHolder | protected |
| validate() (defined in OpenMD::Globals) | OpenMD::Globals | virtual |
| ~DataHolder()=default (defined in OpenMD::DataHolder) | OpenMD::DataHolder | virtual |
| ~Globals() (defined in OpenMD::Globals) | OpenMD::Globals | virtual |
1.10.0