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--- options:uq [2019/10/08 19:00] – slongbottom
+++ options:uq [2019/10/08 19:16] (current) – [Uncertainty Quantification] slongbottom
@@ Line 9: / Line 9: @@
 <html><span style="color:red">This option is only available for analytic potentials.</span></html>
-This generates an ensemble of potentials whose spread can be used to quantify the uncertainties in the fitted parameters. Taking an uncorrelated subsample of the MCMC output forms a potential ensemble representing the uncertainties in each parameter by the ensemble spread and covariance. Propagating the uncertainty represented by the ensemble members through molecular dynamics, the resultant uncertainties in quantities of interest can be obtained. For an example of this see ((Longbottom, S., Brommer, P.: Uncertainty Quantification for Classical Effective Potentials. //arxiv link// )).
+This generates an ensemble of potentials whose spread can be used to quantify the uncertainties in the fitted parameters. Taking an uncorrelated subsample of the MCMC output forms a potential ensemble representing the uncertainties in each parameter by the ensemble spread and covariance. For full details of the output file see the [[output:ensemblefile|ensemblefile]] documentation. By propagating the uncertainty represented by the ensemble members through molecular dynamics, the resultant uncertainties in quantities of interest can be obtained. For an example of this see ((Longbottom, S., Brommer, P.: Uncertainty Quantification for Classical Effective Potentials. //arxiv link// )).
 ===== The Ensemble Method =====