feos
FeOs - A Framework for Equations of State and Classical Density Functional Theory
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Download Latest Version (.zip)- documentation.yml
- release.yml
- test.yml
- wheels.yml
- contributions.rs
- dft_pore.rs
- dual_numbers.rs
- dual_numbers_saftvrmie.rs
- README.md
- state_creation.rs
- state_properties.rs
- dft.rs
- mod.rs
- born.rs
- dispersion.rs
- hard_chain.rs
- ionic.rs
- mod.rs
- permittivity.rs
- mod.rs
- parameters.rs
- binary_vle.rs
- dataset.rs
- diffusion.rs
- estimator.rs
- impl_dataset.rs
- liquid_density.rs
- loss.rs
- mod.rs
- pt_data.rs
- strategy.rs
- thermal_conductivity.rs
- vapor_pressure.rs
- viscosity.rs
- dispersion.rs
- hard_chain.rs
- mod.rs
- parameter.rs
- ad.rs
- dispersion.rs
- hard_chain.rs
- mod.rs
- parameter.rs
- polar.rs
- micelles.rs
- mod.rs
- record.rs
- dft.rs
- mod.rs
- dippr.rs
- joback.rs
- mod.rs
- ideal_gas_function.rs
- mod.rs
- residual_function.rs
- dispersion.rs
- hard_chain.rs
- mod.rs
- polar.rs
- pure_saft_functional.rs
- dispersion.rs
- hard_chain.rs
- mod.rs
- pcsaft_binary.rs
- pcsaft_pure.rs
- polar.rs
- mod.rs
- parameters.rs
- dispersion.rs
- mod.rs
- pure_pets_functional.rs
- dispersion.rs
- mod.rs
- mod.rs
- parameters.rs
- dispersion.rs
- mod.rs
- mod.rs
- parameters.rs
- dispersion.rs
- mod.rs
- non_additive_hs.rs
- dispersion.rs
- hard_sphere.rs
- mod.rs
- non_additive_hs.rs
- mod.rs
- parameters.rs
- attractive_perturbation.rs
- hard_sphere.rs
- mod.rs
- reference_perturbation.rs
- attractive_perturbation.rs
- attractive_perturbation_uvb3.rs
- hard_sphere.rs
- mod.rs
- reference_perturbation.rs
- reference_perturbation_uvb3.rs
- mod.rs
- mod.rs
- parameters.rs
- lib.rs
- binary.rs
- dft.rs
- mod.rs
- critical_point.rs
- dft.rs
- mod.rs
- properties.rs
- px_flashes.rs
- stability_analysis.rs
- state_creation_mixture.rs
- state_creation_pure.rs
- test_parameters.json
- test_parameters_joback.json
- tp_flash.rs
- vle_pure.rs
- critical_properties.rs
- mod.rs
- main.rs
- Cargo.toml
- license-apache
- license-mit
- README.md
- binary.rs
- mod.rs
- pure.rs
- boiling_temperature.rs
- bubble_point_pressure.rs
- dew_point_pressure.rs
- enthalpy_of_vaporization.rs
- equilibrium_liquid_density.rs
- liquid_density.rs
- mod.rs
- residual_isobaric_heat_capacity.rs
- vapor_pressure.rs
- mod.rs
- mod.rs
- residual.rs
- association.rs
- chemical_record.rs
- database.rs
- identifier.rs
- mod.rs
- model_record.rs
- bubble_dew.rs
- mod.rs
- phase_diagram_binary.rs
- phase_diagram_pure.rs
- phase_envelope.rs
- px_flashes.rs
- stability_analysis.rs
- tp_flash.rs
- vle_pure.rs
- cache.rs
- composition.rs
- critical_point.rs
- mod.rs
- properties.rs
- residual_properties.rs
- statevec.rs
- cubic.rs
- density_iteration.rs
- errors.rs
- lib.rs
- parameters.rs
- test_parameters1.json
- test_parameters2.json
- test_parameters_binary.json
- Cargo.toml
- CHANGELOG.md
- docs-header.html
- license-apache
- license-mit
- README.md
- dft.rs
- functional_contribution.rs
- ideal_gas.rs
- lib.rs
- residual.rs
- subset.rs
- Cargo.toml
- license-apache
- license-mit
- README.md
- external_potential.rs
- fea_potential.rs
- mod.rs
- pore.rs
- pore2d.rs
- pore3d.rs
- mod.rs
- periodic_convolver.rs
- transform.rs
- mod.rs
- surface_tension_diagram.rs
- mod.rs
- properties.rs
- mod.rs
- pair_correlation.rs
- solvation_profile.rs
- functional.rs
- functional_contribution.rs
- geometry.rs
- ideal_chain_contribution.rs
- lib.rs
- pdgt.rs
- solver.rs
- weight_functions.rs
- Cargo.toml
- CHANGELOG.md
- docs-header.html
- license-apache
- license-mit
- README.md
- base.rst
- class.rst
- ad.md
- dft.md
- eos.md
- index.md
- parameters.md
- thread_pool.md
- index.md
- recipes_automatic_differentiation.ipynb
- recipes_contact_angle.ipynb
- recipes_critical_point_pure.ipynb
- recipes_p_sat_t_boil.ipynb
- recipes_phase_diagram_pure.ipynb
- recipes_phase_equilibrium_flash.ipynb
- recipes_phase_equilibrium_pure.ipynb
- recipes_surface_tension_diagram_pure.ipynb
- recipes_surface_tension_pure.ipynb
- equation_of_state.rst
- index.md
- state.rst
- index.md
- derivatives.md
- enthalpy_of_adsorption.md
- euler_lagrange_equation.md
- functional_derivatives.md
- ideal_gas.md
- index.md
- pdgt.md
- solver.md
- critical_points.md
- index.md
- properties.md
- association.md
- FeOs_Association.png
- hard_spheres.md
- index.md
- index.md
- pcsaft_surface_tension.ipynb
- core_user_defined_eos.ipynb
- index.md
- pcsaft_entropy_scaling.ipynb
- pcsaft_phase_diagram.ipynb
- pcsaft_working_with_parameters.ipynb
- core_dual_numbers.ipynb
- core_working_with_units.ipynb
- index.md
- index.md
- conf.py
- help_and_feedback.md
- index.md
- installation.md
- Makefile
- rust_api.md
- hexane_nist.csv
- lennard_jones_nist.csv
- peng-robinson.json
- water_vle_nist.csv
- binary_vle.csv
- hexane_liquid_density.csv
- hexane_vapor_pressure.csv
- hexane_viscosity.csv
- adjust_kij.ipynb
- adjust_non_polar_non_asssociating.ipynb
- adjust_viscosity_correlation.ipynb
- README.md
- Dha.dat
- DREIDING.dat
- LTA.dat
- MFI.nml
- noble_gases.json
- PASCUAL.dat
- solid_database.json
- TpPA.dat
- ZIF-8.cif
- adsorption_isotherms.ipynb
- Entropy Scaling.ipynb
- fea_adsorption.ipynb
- hexane_nist.csv
- PhaseDiagramBinary.ipynb
- pore_geometry.ipynb
- lafitte_critical_data.csv
- validate_lafitte.ipynb
- deuterium_helium_exp_data.dat
- hydrogen_deuterium_exp_data.dat
- hydrogen_helium_exp_data.dat
- deuterium_32K.table
- deuterium_helium_binary.ipynb
- deuterium_neon_32K.rdf
- deuterium_neon_32K.table
- hydrogen_deuterium_binary.ipynb
- hydrogen_fh1_vs_fh2.ipynb
- hydrogen_helium_binary.ipynb
- hydrogen_neon_binary.ipynb
- in.binary_deuterium_neon
- mulero_2012_parameters.json
- neon_32K.table
- quantum_fluid_dft.ipynb
- radial_distribution_function.ipynb
- core_dual_numbers.ipynb
- core_user_defined_eos.ipynb
- core_working_with_units.ipynb
- gc_pcsaft_functional.ipynb
- lj_models.ipynb
- managing_threads.ipynb
- pc_saft_phase_diagram_to_dict.ipynb
- pcsaft_entropy_scaling.ipynb
- pcsaft_phase_diagram.ipynb
- pcsaft_surface_tension.ipynb
- pcsaft_working_with_parameters.ipynb
- pets_eos_binary_caseI.ipynb
- manuscript.pdf
- README.md
- held2014_binary.json
- held2014_w_permittivity_added.json
- literature.bib
- README.md
- burkhardt2025.json
- joback1987.json
- literature.bib
- poling2000.json
- README.md
- coolprop.json
- README.md
- eller2022.json
- esper2023.json
- gc_substances.json
- gross2001.json
- gross2002.json
- gross2002_binary.json
- gross2005_fit.json
- gross2005_literature.json
- gross2006.json
- literature.bib
- loetgeringlin2015_homo.json
- loetgeringlin2018.json
- README.md
- rehner2020.json
- rehner2023_binary.json
- rehner2023_hetero.json
- rehner2023_hetero_binary.json
- rehner2023_homo.json
- rehner2023_homo_binary.json
- sauer2014_hetero.json
- sauer2014_homo.json
- sauer2014_smarts.json
- lafitte2013.json
- literature.bib
- README.md
- aasen2019.json
- aasen2019_fh2.json
- aasen2020_binary.json
- aasen2020_binary_fh2.json
- hammer2023.json
- literature.bib
- README.md
- held2014_binary.json
- held2014_w_permittivity_added.json
- literature.bib
- README.md
- joback1987.json
- literature.bib
- poling2000.json
- README.md
- eller2022.json
- esper2023.json
- gc_substances.json
- gross2001.json
- gross2002.json
- gross2002_binary.json
- gross2005_fit.json
- gross2005_literature.json
- gross2006.json
- literature.bib
- loetgeringlin2015_homo.json
- loetgeringlin2018.json
- README.md
- rehner2020.json
- rehner2023_binary.json
- rehner2023_hetero.json
- rehner2023_hetero_binary.json
- rehner2023_homo.json
- rehner2023_homo_binary.json
- sauer2014_hetero.json
- sauer2014_homo.json
- sauer2014_smarts.json
- lafitte2013.json
- literature.bib
- README.md
- aasen2019.json
- aasen2019_fh2.json
- aasen2020_binary.json
- aasen2020_binary_fh2.json
- hammer2023.json
- literature.bib
- README.md
- README.md
- dataset.rs
- mod.rs
- external_potential.rs
- mod.rs
- pore.rs
- mod.rs
- surface_tension_diagram.rs
- mod.rs
- profile.rs
- solvation.rs
- solver.rs
- constructors.rs
- epcsaft.rs
- gc_pcsaft.rs
- mod.rs
- multiparameter.rs
- pcsaft.rs
- pets.rs
- saftvrmie.rs
- saftvrqmie.rs
- uvtheory.rs
- chemical_record.rs
- fragmentation.rs
- identifier.rs
- mod.rs
- model_record.rs
- segment.rs
- error.rs
- estimator.rs
- ideal_gas.rs
- lib.rs
- phase_equilibria.rs
- residual.rs
- state.rs
- user_defined.rs
- Cargo.toml
- pyproject.toml
- README.md
- .gitignore
- Cargo.toml
- CHANGELOG.md
- CITATION.bib
- docs-header.html
- license-apache
- license-mit
- README.md
# Installation Guide
1. Get the code
git clone https://github.com/feos-org/feos
Downloads the entire project code from GitHub to your computer.
cd feos
Moves into the project folder you just downloaded.
2. Official Install Script
Easy RecommendedPrerequisites
- Python 3 Python is required to use pip.
pip install feos
Installs the package published on PyPI directly โ no need to clone the source.
pip install git+https://github.com/feos-org/feos
Installs the package published on PyPI directly โ no need to clone the source.
After installing, open a new terminal and run the program's version command (e.g. --version) to confirm it worked.
Pulled directly from this repo's README.
3. Python
EasyPrerequisites
pip install feos
Installs the package published on PyPI directly โ no need to clone the source.
pip install git+https://github.com/feos-org/feos
Installs the package published on PyPI directly โ no need to clone the source.
If it runs without errors and prints output in the terminal, it worked.
Pulled directly from this repo's README.
4. Rust
MediumPrerequisites
- Git Needed to download the project code from GitHub.
- Rust (rustup) Installing via rustup also installs cargo.
cargo test --release
Type this command into your terminal and run it.
cargo test --release --features pcsaft
Type this command into your terminal and run it.
cargo test --release --features all_models
Type this command into your terminal and run it.
If cargo build finishes without errors, it worked. The executable is created under target/.
Pulled directly from this repo's README.
// repository documentation
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