Package csb :: Package statistics :: Package samplers :: Package mc :: Module neqsteppropagator :: Class NonequilibriumStepPropagator
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Class NonequilibriumStepPropagator

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                    object --+    
                             |    
propagators.AbstractPropagator --+
                                 |
                                NonequilibriumStepPropagator

Propagator class which propagates a system using NCMC-like stepwise trajectories

Nested Classes

Inherited from propagators.AbstractPropagator: __metaclass__

Instance Methods
 
__init__(self, protocol)
x.__init__(...) initializes x; see help(type(x)) for signature
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AbstractPropagationResult
generate(self, init_state, return_trajectory=False)
Generate a trajectory, starting from an initial state with a certain length.
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Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __new__, __reduce__, __reduce_ex__, __repr__, __setattr__, __sizeof__, __str__, __subclasshook__

Class Variables
  __abstractmethods__ = frozenset([])
Properties
  protocol

Inherited from object: __class__

Method Details

__init__(self, protocol)
(Constructor)

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x.__init__(...) initializes x; see help(type(x)) for signature

Parameters:
  • protocol (Protocol) - stepwise protocol to be followed
Overrides: object.__init__
(inherited documentation)

generate(self, init_state, return_trajectory=False)

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Generate a trajectory, starting from an initial state with a certain length.

Parameters:
  • init_state - Initial state from which to propagate
  • length - Length of the trajectory (in integration steps or stochastic moves)
  • return_trajectory - Return complete Trajectory instead of the initial and final states only (PropagationResult)
Returns: AbstractPropagationResult
Overrides: propagators.AbstractPropagator.generate
(inherited documentation)

Property Details

protocol

Get Method:
unreachable.protocol(self)
Set Method:
unreachable.protocol(self, value)