surfpack

Name	surfpack JSON
Version	1.0.0 JSON
	download
home_page	https://github.com/thermotools/surfpack
Summary	Density Functional Theory for surfaces and interfaces
upload_time	2024-09-11 17:13:27
maintainer	None
docs_url	None
author	Vegard Gjeldvik Jervell
requires_python	>=3.9
license	None
keywords	physics thermodynamics equations_of_state phase_equilibria saft dft density_functional_theory
VCS
bugtrack_url
requirements	No requirements were recorded.
Travis-CI	No Travis.
coveralls test coverage	No coveralls.

            # SurfPack 

SurfPack is a library for computation of interfacial properties of fluids, and the properties of fluids at interfaces
and in confined systems. The library includes an interface to Classical Density Functional theory, with implementations
of several SAFT-based functionals. The package is implemented in pure python, building on the
[ThermoPack](https://thermotools.github.io/thermopack/) python interface.

For documentation, installation- and getting started guides, see the [SurfPack homepage](https://thermotools.github.io/SurfPack).


# References
* J. Mairhofer, J. Gross, Fluid Phase Equilib., 444, 1-12, 2017.
* E. Sauer, J. Gross, Ind. Eng. Chem. Res., 56, 4119, 2017.
* Heier et al., Mol. Phys., 116, 2018. (10.1080/00268976.2018.1447153)

            

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