csb.statistics.samplers.mc.neqsteppropagator.PlainMDPropagation

Class PlainMDPropagation

object --+ | AbstractPropagation --+ | AbstractMDPropagation --+ | PlainMDPropagation

System propagation by plain, microcanonical MD

Instance Methods

__init__(self, sys, param, evaluate_heat=True)
x.__init__(...) initializes x; see help(type(x)) for signature

source code

Inherited from AbstractPropagation: __call__

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __new__, __reduce__, __reduce_ex__, __repr__, __setattr__, __sizeof__, __str__, __subclasshook__

Class Variables

__abstractmethods__ = frozenset([])

Properties

Inherited from AbstractPropagation: evaluate_heat, param, sys

Inherited from object: __class__

Method Details

init(self, sys, param, evaluate_heat=True)
(Constructor)

source code

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

Parameters:

sys (AbstractSystemInfo) - information about the current system setup
param (PlainMDPropagationParam) - parameters neccessary for propagating the system
evaluate_heat (boolean) - Allows to switch off the heat evaluation, which might not always be needed, in order to save computation time.

Overrides: object.__init__

(inherited documentation)

Nested Classes
Inherited from `AbstractPropagation`: `__metaclass__`

Class PlainMDPropagation

__init__(self, sys, param, evaluate_heat=True) (Constructor)

init(self, sys, param, evaluate_heat=True)
(Constructor)