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ls1-MarDyn
ls1-MarDyn molecular dynamics code
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This is the complete list of members for Domain, including all inherited members.
| calculateGlobalValues(DomainDecompBase *domainDecomp, ParticleContainer *particleContainer, bool collectThermostatVelocities, double Tfactor) | Domain | |
| calculateGlobalValues(DomainDecompBase *domainDecomp, ParticleContainer *particleContainer) | Domain | inline |
| calculateThermostatDirectedVelocity(ParticleContainer *partCont) | Domain | |
| calculateVelocitySums(ParticleContainer *partCont) | Domain | |
| cv() (defined in Domain) | Domain | |
| disableComponentwiseThermostat() | Domain | inline |
| Domain(int rank) | Domain | |
| enableComponentwiseThermostat() | Domain | |
| enableUndirectedThermostat(int thermostat) | Domain | |
| evaluateRho(unsigned long localN, DomainDecompBase *comm) (defined in Domain) | Domain | |
| getAverageGlobalUpot() const | Domain | |
| getAverageGlobalUpotCSpec() | Domain | |
| getAverageGlobalVirial() const | Domain | |
| getComp2Params() | Domain | |
| getCurrentTemperature(int thermostatID) (defined in Domain) | Domain | inline |
| getepsilonRF() const | Domain | |
| getGlobalBetaRot() | Domain | |
| getGlobalBetaRot(int thermostat) (defined in Domain) | Domain | |
| getGlobalBetaTrans() | Domain | |
| getGlobalBetaTrans(int thermostat) (defined in Domain) | Domain | |
| getGlobalCurrentTemperature() | Domain | inline |
| getGlobalLength(int d) const | Domain | inline |
| getglobalNumMolecules() const | Domain | |
| getGlobalPressure() | Domain | |
| getglobalRho() | Domain | |
| getglobalRotDOF() | Domain | |
| getGlobalUpot() const (defined in Domain) | Domain | |
| getGlobalVolume() const (defined in Domain) | Domain | inline |
| getLocalUpot() const | Domain | |
| getLocalUpotCompSpecific() | Domain | |
| getLocalVirial() const | Domain | |
| getMaxMoleculeID() const | Domain | |
| getmixcoeff() | Domain | |
| getNumberOfComponents() (defined in Domain) | Domain | |
| getNumFluidComponents() | Domain | |
| getNumFluidMolecules() | Domain | |
| getSigma(unsigned cid, unsigned nthSigma) | Domain | |
| getTargetTemperature(int thermostatID) (defined in Domain) | Domain | inline |
| getThermostat(int cid) | Domain | inline |
| getThermostatDirectedVelocity(int thermostat, int d) | Domain | inline |
| init_cv(unsigned N, double U, double UU) (defined in Domain) | Domain | inline |
| initParameterStreams(double cutoffRadius, double cutoffRadiusLJ) | Domain | |
| maxThermostat() | Domain | inline |
| N() (defined in Domain) | Domain | inline |
| Nadd(unsigned cid, int N, int localN) (defined in Domain) | Domain | |
| NVE() (defined in Domain) | Domain | inline |
| readXML(XMLfileUnits &xmlconfig) | Domain | |
| record_cv() (defined in Domain) | Domain | |
| setComponentThermostat(int cid, int thermostat) | Domain | inline |
| setDensityCoefficient(float coeff) (defined in Domain) | Domain | inline |
| setepsilonRF(double erf) | Domain | |
| SetExplosionHeuristics(bool bVal) (defined in Domain) | Domain | inline |
| setGlobalLength(int index, double length) | Domain | |
| setglobalNumMolecules(unsigned long glnummol) | Domain | |
| setglobalRho(double grho) | Domain | |
| setglobalRotDOF(unsigned long grotdof) | Domain | |
| setGlobalTemperature(double T) | Domain | inline |
| setLambda(double lambda) (defined in Domain) | Domain | inline |
| setLocalNrotDOF(int thermostat, unsigned long N, unsigned long rotDOF) | Domain | inline |
| setLocalSumIw2(double sumIw2, int thermostat) | Domain | |
| setLocalSummv2(double summv2, int thermostat) | Domain | |
| setLocalUpot(double Upot) | Domain | |
| setLocalUpotCompSpecific(double UpotCspec) | Domain | |
| setLocalVirial(double Virial) | Domain | |
| setNumFluidComponents(unsigned nc) | Domain | |
| setProfiledComponentMass(double m) (defined in Domain) | Domain | inline |
| setTargetTemperature(int thermostatID, double T) (defined in Domain) | Domain | |
| setUpotCorr(double upotcorr) (defined in Domain) | Domain | inline |
| setVirialCorr(double virialcorr) (defined in Domain) | Domain | inline |
| severalThermostats() | Domain | inline |
| submitDU(unsigned cid, double DU, double *r) (defined in Domain) | Domain | |
| thermostatIsUndirected(int thermostat) | Domain | inline |
| thermostatOff() (defined in Domain) | Domain | inline |
| thermostatOn() (defined in Domain) | Domain | inline |
| thermostatWarning() (defined in Domain) | Domain | inline |
| updateglobalNumMolecules(ParticleContainer *particleContainer, DomainDecompBase *domainDecomp) | Domain | |
| updateMaxMoleculeID(ParticleContainer *particleContainer, DomainDecompBase *domainDecomp) | Domain | |
| writeCheckpoint(std::string filename, ParticleContainer *particleContainer, DomainDecompBase *domainDecomp, double currentTime, bool useBinaryFormat=false) | Domain | |
| writeCheckpointHeader(std::string filename, ParticleContainer *particleContainer, const DomainDecompBase *domainDecomp, double currentTime) | Domain | |
| writeCheckpointHeaderXML(std::string filename, ParticleContainer *particleContainer, const DomainDecompBase *domainDecomp, double currentTime) (defined in Domain) | Domain |
1.9.2