DFT examples using SAFT-VRQ Mie

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FeOs - A Framework for Equations of State and Classical Density Functional Theory

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DFT examples using SAFT-VRQ Mie #133

Closed morteham closed 1 year ago

morteham commented 1 year ago

Hi,

I uploaded notebooks that generates the main figures of the resent quantum DFT paper. Let me know if you want any modifications to the notebooks.

Regards, Morten

g-bauer commented 1 year ago

Hi Morten,

thank you very much for the PR. I've noticed that some paths (e.g. ./data/hydrogen_helium_exp_data.dat) are currently not working because there is no data folder. Could you fix this? Otherwise, the notebooks are great!

morteham commented 1 year ago

Sorry for the error in path, I have moved the *.dat files to the data folder.