espressopp.ParallelTempering¶
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espressopp.
ParallelTempering
(NumberOfSystems, RNG)¶ Parameters: - NumberOfSystems (int) – (default: 4)
- RNG – (default: None)
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espressopp.ParallelTempering.
endDefiningSystem
(n)¶ Parameters: n – Return type:
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espressopp.ParallelTempering.
exchange
()¶ Return type:
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espressopp.ParallelTempering.
getNumberOfCPUsPerSystem
()¶ Return type:
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espressopp.ParallelTempering.
getNumberOfSystems
()¶ Return type:
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espressopp.ParallelTempering.
run
(nsteps)¶ Parameters: nsteps – Return type:
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espressopp.ParallelTempering.
setAnalysisE
(analysisE)¶ Parameters: analysisE –
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espressopp.ParallelTempering.
setAnalysisNPart
(analysisNPart)¶ Parameters: analysisNPart –
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espressopp.ParallelTempering.
setAnalysisT
(analysisT)¶ Parameters: analysisT –
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espressopp.ParallelTempering.
setIntegrator
(integrator, thermostat)¶ Parameters: - integrator –
- thermostat –
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espressopp.ParallelTempering.
startDefiningSystem
(n)¶ Parameters: n – Return type: