Implementation of SAFT-VRQ Mie EoS#79
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g-bauer merged 10 commits intofeos-org:mainfrom Dec 4, 2022
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This PR implements the SAFT-VRQ Mie EoS (doi: 10.1063/1.5111364). Quantum effects are described by the first order Feynman–Hibbs corrections to the Mie fluids and the model give accurate predictions down to 20K. The mixture model (doi: 10.1063/1.5136079) is modified to use a additive reference with a non-additive correction. |
…LAMMPS output, added Python docstrings for functional constructor
prehner
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Dec 1, 2022
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Nice work! The comments mostly refer to code relics that could be cleaned up.
Please add a changelog entry for feos before merging.
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I have notebooks plotting all the plots for the upcoming article. I will create a new PR and add them to the |
…binary.json, added links to publications and comment about different hydrogen parameters, updated changelog
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Dec 2, 2022
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Awesome work, thanks Morten. 🎉 |
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