options:uq
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- | 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 [[output:uq|uq output]]. 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, | + | 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, |
===== The Ensemble Method ===== | ===== The Ensemble Method ===== |
options/uq.1570554886.txt.gz · Last modified: 2019/10/08 19:14 by slongbottom