feos-org / feos

FeOs - A Framework for Equations of State and Classical Density Functional Theory
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Using the estimator tool #78

Closed marcosfelt closed 1 year ago

marcosfelt commented 1 year ago

Is there a tutorial on how to use the estimator tool from python? I couldn't seem to find one, but I might be missing something.

g-bauer commented 1 year ago

There is currently no example/tutorial on how to use the Estimator and DataSet objects. I can add an example notebook - what do you want to do? Do you want to adjust equation of state parameters or correlation parameters for entropy scaling?

marcosfelt commented 1 year ago

I would want to adjust equation of state parameters. A tutorial would be great! Thanks 😁

g-bauer commented 1 year ago

I opened a tracking issue (#82) for documentation/notebook(s) for this issue. We are currently working on parallelization of these features so this may take some time.