Commit b7ed8d7
Implementation of SAFT-VRQ Mie EoS (feos-org#79)
* Added SAFT-VRQ Mie EOS and DFT functional
* added documentation, minor refactoring incl. clippy suggestions
* updated README, added README for parameters, renamed parameter files, updated CI
* added dft feature to dispersion energy density
* added function to generate lammps tables from parameters incl. python binding
* Added tutorial on how to compute the rdf using DFT and comparison to LAMMPS output, added Python docstrings for functional constructor
* Deleted commented code
* Added aasen2019 parameter set and updated litterature.bib file
* Added comment on SAFT-VRQ Mie in the changelog
* Updated parameter readme, renamed binary parameter file to aasen2020_binary.json, added links to publications and comment about different hydrogen parameters, updated changelog
Co-authored-by: Morten Hammer <morten.hammer@ntnu.no>
Co-authored-by: Gernot Bauer <bauer@itt.uni-stuttgart.de>1 parent 8f0ebcc commit b7ed8d7
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- docs/api
- examples/saftvrqmie
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- saftvrqmie
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- eos
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