docs: Explanation about ensemble names made more explicit in

documentation.
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Fabian Joswig 2023-01-24 12:59:15 +00:00
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@ -41,7 +41,7 @@ print(my_new_obs) # Print the result to stdout
`pyerrors` introduces a new datatype, `Obs`, which simplifies error propagation and estimation for auto- and cross-correlated data. `pyerrors` introduces a new datatype, `Obs`, which simplifies error propagation and estimation for auto- and cross-correlated data.
An `Obs` object can be initialized with two arguments, the first is a list containing the samples for an observable from a Monte Carlo chain. An `Obs` object can be initialized with two arguments, the first is a list containing the samples for an observable from a Monte Carlo chain.
The samples can either be provided as python list or as numpy array. The samples can either be provided as python list or as numpy array.
The second argument is a list containing the names of the respective Monte Carlo chains as strings. These strings uniquely identify a Monte Carlo chain/ensemble. The second argument is a list containing the names of the respective Monte Carlo chains as strings. These strings uniquely identify a Monte Carlo chain/ensemble. **It is crucial for the correct error propagation that observations from the same Monte Carlo history are labeled with the same name. See [Multiple ensembles/replica](#Multiple-ensembles/replica) for details.**
```python ```python
import pyerrors as pe import pyerrors as pe
@ -142,6 +142,8 @@ my_sum.details()
> · Ensemble 'ensemble1' : 1000 configurations (from 1 to 1000) > · Ensemble 'ensemble1' : 1000 configurations (from 1 to 1000)
> · Ensemble 'ensemble2' : 500 configurations (from 1 to 500) > · Ensemble 'ensemble2' : 500 configurations (from 1 to 500)
``` ```
Observables from the **same Monte Carlo chain** have to be initialized with the **same name** for correct error propagation. If different names were used in this case the data would be treated as statistically independent resulting in loss of relevant information and a potential over or under estimate of the statistical error.
`pyerrors` identifies multiple replica (independent Markov chains with identical simulation parameters) by the vertical bar `|` in the name of the data set. `pyerrors` identifies multiple replica (independent Markov chains with identical simulation parameters) by the vertical bar `|` in the name of the data set.