espressopp.ParallelTempering¶

espressopp.ParallelTempering(NumberOfSystems, RNG)¶

Parameters:	NumberOfSystems (int) – (default: 4) RNG – (default: None)

espressopp.ParallelTempering.endDefiningSystem(n)¶

Parameters:	n –
Return type:

espressopp.ParallelTempering.exchange()¶

Return type:

espressopp.ParallelTempering.getNumberOfCPUsPerSystem()¶

Return type:

espressopp.ParallelTempering.getNumberOfSystems()¶

Return type:

espressopp.ParallelTempering.run(nsteps)¶

Parameters:	nsteps –
Return type:

espressopp.ParallelTempering.setAnalysisE(analysisE)¶

Parameters:	analysisE –

espressopp.ParallelTempering.setAnalysisNPart(analysisNPart)¶

Parameters:	analysisNPart –

espressopp.ParallelTempering.setAnalysisT(analysisT)¶

Parameters:	analysisT –

espressopp.ParallelTempering.setIntegrator(integrator, thermostat)¶

Parameters:	integrator – thermostat –

espressopp.ParallelTempering.startDefiningSystem(n)¶

Parameters:	n –
Return type: