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FHedin edited this page Mar 5, 2017 · 4 revisions

Workflow of the FittingWizad MTPs and LJ parameters fitting

The following figure is a simplified version of the workflows corresponding to the : (Left) MTPs fitting procedure, and (Right) LJ parameters fitting

Below is a detailed version of the workflows corresponding to the : (Left) MTPs fitting procedure, and (Right) LJ parameters fitting

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