Implement SAFT-VR Mie equation of state - Githubissues

feos-org / feos

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

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Implement SAFT-VR Mie equation of state #237

Closed g-bauer closed 2 months ago

g-bauer commented 3 months ago

[x] rebase
[x] more tests
[x] docs
[x] changelog
[x] update readme
[x] parameters of original publication
[x] example notebook
[x] validate LJ + assoc plots
[x] check visibility changes in other crates

Not covered in this PR

polar contributions
alternative association terms (only Lafitte et al. 2013 is implemented for now)

prehner commented 2 months ago

Also, you might want to add an entry in model matrix in workflows/test.yml