espressopp.integrator.ExtAnalyze¶
This class can be used to execute nearly all analysis objects within the main integration loop which allows to automatically accumulate time averages (with standard deviation error bars).
Example Usage:
>>> pt = espressopp.analysis.PressureTensor(system)
>>> extension_pt = espressopp.integrator.ExtAnalyze(pt , interval=100)
>>> integrator.addExtension(extension_pt)
>>> integrator.run(10000)
>>>
>>> pt_ave = pt.getAverageValue()
>>> print "average Pressure Tensor = ", pt_ave[:6]
>>> print " std deviation = ", pt_ave[6:]
>>> print "number of measurements = ", pt.getNumberOfMeasurements()
-
espressopp.integrator.
ExtAnalyze
(action_obj, interval)¶ Parameters: - action_obj –
- interval (int) – (default: 1)