update CHANGELOG, Cargo.toml, README

CHANGELOG.md

@@ -6,6 +6,9 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0
 
 ## [Unreleased]
 
+### Added
+- Added ePC-SAFT equation of state. [#229](https://github.com/feos-org/feos/pull/229)
+
 ### Changed
 - Updated model implementations to account for the removal of trait objects for Helmholtz energy contributions and the de Broglie in `feos-core`. [#226](https://github.com/feos-org/feos/pull/226)
 - Changed Helmholtz energy functions in `PcSaft` contributions so that the temperature-dependent diameter is re-used across different contributions. [#226](https://github.com/feos-org/feos/pull/226)

Cargo.toml

@@ -1,27 +1,19 @@
 [package]
 name = "feos"
 version = "0.6.1"
-authors = [
-    "Gernot Bauer <[email protected]>",
-    "Philipp Rehner <[email protected]>",
-]
+authors = ["Gernot Bauer <[email protected]>", "Philipp Rehner <[email protected]>"]
 edition = "2021"
 readme = "README.md"
 license = "MIT OR Apache-2.0"
 description = "FeOs - A framework for equations of state and classical density functional theory."
 homepage = "https://github.com/feos-org"
 repository = "https://github.com/feos-org/feos"
-keywords = [
-    "physics",
-    "thermodynamics",
-    "equations_of_state",
-    "phase_equilibria",
-]
+keywords = ["physics", "thermodynamics", "equations_of_state", "phase_equilibria"]
 categories = ["science"]
 
 [package.metadata.docs.rs]
 features = ["all_models", "rayon"]
-rustdoc-args = ["--html-in-header", "./docs-header.html"]
+rustdoc-args = [ "--html-in-header", "./docs-header.html" ]
 
 [workspace]
 members = ["feos-core", "feos-dft", "feos-derive"]
@@ -76,24 +68,8 @@ uvtheory = ["lazy_static"]
 pets = []
 saftvrqmie = []
 rayon = ["dep:rayon", "ndarray/rayon", "feos-core/rayon", "feos-dft?/rayon"]
-python = [
-    "pyo3",
-    "numpy",
-    "quantity/python",
-    "feos-core/python",
-    "feos-dft?/python",
-    "rayon",
-]
-all_models = [
-    "dft",
-    "estimator",
-    "pcsaft",
-    "epcsaft",
-    "gc_pcsaft",
-    "uvtheory",
-    "pets",
-    "saftvrqmie",
-]
+python = ["pyo3", "numpy", "quantity/python", "feos-core/python", "feos-dft?/python", "rayon"]
+all_models = ["dft", "estimator", "pcsaft", "epcsaft", "gc_pcsaft", "uvtheory", "pets", "saftvrqmie"]
 
 [[bench]]
 name = "state_properties"

README.md

@@ -36,6 +36,7 @@ The following models are currently published as part of the `FeOs` framework
 |name|description|eos|dft|
 |-|-|:-:|:-:|
 |`pcsaft`|perturbed-chain (polar) statistical associating fluid theory|✓|✓|
+|`epcsaft`|electrolyte PC-SAFT|✓||
 |`gc-pcsaft`|(heterosegmented) group contribution PC-SAFT|✓|✓|
 |`pets`|perturbed truncated and shifted Lennard-Jones mixtures|✓|✓|
 |`uvtheory`|equation of state for Mie fluids and mixtures|✓||