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ls1-MarDyn
ls1-MarDyn molecular dynamics code
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This is the complete list of members for Simulation, including all inherited members.
| advanceSimulationTime(double timestep) (defined in Simulation) | Simulation | inline |
| disableFinalCheckpoint() (defined in Simulation) | Simulation | inline |
| domainDecomposition() | Simulation | inline |
| enableFinalCheckpoint() (defined in Simulation) | Simulation | inline |
| enableMemoryProfiler() (defined in Simulation) | Simulation | inline |
| exit(int exitcode) | Simulation | static |
| finalize() | Simulation | |
| getAndResetOneLoopCompTime() | Simulation | inline |
| getCellProcessor() const (defined in Simulation) | Simulation | |
| getcutoffRadius() const (defined in Simulation) | Simulation | inline |
| getDomain() | Simulation | inline |
| getEnsemble() (defined in Simulation) | Simulation | inline |
| getH() | Simulation | inline |
| getInitStatistics() const (defined in Simulation) | Simulation | inline |
| getIntegrator() | Simulation | inline |
| getLJCutoff() const (defined in Simulation) | Simulation | inline |
| getMemoryProfiler() (defined in Simulation) | Simulation | inline |
| getMoleculeContainer() | Simulation | inline |
| getNumberOfTimesteps() const (defined in Simulation) | Simulation | |
| getNumInitTimesteps() | Simulation | inline |
| getNumTimesteps() | Simulation | inline |
| getOutputPrefix() (defined in Simulation) | Simulation | inline |
| getPlugin(const std::string &name) | Simulation | |
| getPluginList() (defined in Simulation) | Simulation | inline |
| getSimulationStep() | Simulation | inline |
| getSimulationTime() (defined in Simulation) | Simulation | inline |
| getTotalNumberOfMolecules() const (defined in Simulation) | Simulation | |
| initCanonical(unsigned long t) (defined in Simulation) | Simulation | inline |
| initConfigXML(const std::string &inputfilename) | Simulation | |
| initGlobalEnergyLog() | Simulation | |
| initGrandCanonical(unsigned long t) (defined in Simulation) | Simulation | inline |
| initialize() | Simulation | |
| initStatistics(unsigned long t) (defined in Simulation) | Simulation | inline |
| keepRunning() | Simulation | |
| performOverlappingDecompositionAndCellTraversalStep(double etime) | Simulation | |
| pluginEndStepCall(unsigned long simstep) | Simulation | |
| prepare_start() | Simulation | |
| readConfigFile(std::string filename) | Simulation | |
| readXML(XMLfileUnits &xmlconfig) | Simulation | |
| refreshParticleIDs() | Simulation | |
| setcutoffRadius(double cutoffRadius) (defined in Simulation) | Simulation | inline |
| setDomainDecomposition(DomainDecompBase *domainDecomposition) | Simulation | |
| setEnsemble(Ensemble *ensemble) (defined in Simulation) | Simulation | inline |
| setForcedCheckpointTime(double time) (defined in Simulation) | Simulation | inline |
| setH(double h_extern) | Simulation | inline |
| setLJCutoff(double LJCutoffRadius) (defined in Simulation) | Simulation | inline |
| setLoopAbortTime(double time) | Simulation | inline |
| setNumTimesteps(unsigned long steps) | Simulation | inline |
| setOutputPrefix(std::string prefix) (defined in Simulation) | Simulation | inline |
| setOutputPrefix(char *prefix) (defined in Simulation) | Simulation | inline |
| setSimulationTime(double curtime) (defined in Simulation) | Simulation | inline |
| simulate() | Simulation | |
| Simulation() | Simulation | |
| Tfactor(unsigned long simstep) | Simulation | |
| timers() (defined in Simulation) | Simulation | inline |
| updateParticleContainerAndDecomposition(double lastTraversalTime, bool useTimers) | Simulation | |
| useLegacyCellProcessor() (defined in Simulation) | Simulation | inline |
| writeGlobalEnergyLog(const double &globalUpot, const double &globalT, const double &globalPressure) (defined in Simulation) | Simulation | |
| ~Simulation() | Simulation |
1.9.2