Implementation of SAFT-VRQ Mie EoS - #79

Merged

g-bauer merged 10 commits into

feos-org:mainfrom

morteham:saftvrqmie

Dec 4, 2022

Commits on Nov 25, 2022

Added SAFT-VRQ Mie EOS and DFT functional
morteham
committed
3d2a336

Commits on Nov 28, 2022

added documentation, minor refactoring incl. clippy suggestions
g-bauer
committed
ee090d7

Commits on Nov 29, 2022

updated README, added README for parameters, renamed parameter files, updated CI
g-bauer
committed
05667c7
added dft feature to dispersion energy density
g-bauer
committed
7aa0329
added function to generate lammps tables from parameters incl. python binding
g-bauer
committed
5c30b58

Commits on Nov 30, 2022

Added tutorial on how to compute the rdf using DFT and comparison to LAMMPS output, added Python docstrings for functional constructor
g-bauer
committed
79b1424