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: