Package csb :: Package statistics :: Package samplers :: Package mc :: Module multichain :: Class ThermostattedMDRENS |
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# Class ThermostattedMDRENS

source code

         object --+
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    AbstractSampler --+
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             AbstractMC --+
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         AbstractEnsembleMC --+
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             AbstractExchangeMC --+
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                       AbstractRENS --+
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                                 MDRENS --+
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                                         ThermostattedMDRENS

Replica Exchange with Nonequilibrium Switches (RENS, Ballard & Jarzynski, 2009) with Andersen-thermostatted Molecular Dynamics (MD) trajectories.

Nested Classes
Inherited from `AbstractSampler`: `__metaclass__`

Instance Methods
__init__(self, samplers, param_infos, integrator=<class 'csb.numeric.integrators.LeapFrog'>) x.__init__(...) initializes x; see help(type(x)) for signature | source code
Inherited from `AbstractExchangeMC`: `swap` Inherited from `AbstractEnsembleMC`: `sample` Inherited from `object`: `__delattr__`, `__format__`, `__getattribute__`, `__hash__`, `__new__`, `__reduce__`, `__reduce_ex__`, `__repr__`, `__setattr__`, `__sizeof__`, `__str__`, `__subclasshook__`

Class Variables
Inherited from `MDRENS`: `__abstractmethods__`

Properties
Inherited from `AbstractExchangeMC`: `acceptance_rates`, `param_infos`, `statistics` Inherited from `AbstractEnsembleMC`: `energy` Inherited from `AbstractMC`: `state` Inherited from `object`: `__class__`

Method Details

### __init__(self, samplers, param_infos, integrator=<class 'csb.numeric.integrators.LeapFrog'>) (Constructor) | source code
x.__init__(...) initializes x; see help(type(x)) for signature Parameters: `samplers` (list of AbstractSingleChainMC) - Samplers which sample their respective equilibrium distributions `param_infos` (list of ThermostattedMDRENSSwapParameterInfo) - ParameterInfo instance holding information required to perform a MDRENS swap `integrator` (type) - Subclass of AbstractIntegrator to be used to calculate the non-equilibrium trajectories Overrides: object.__init__ (inherited documentation)