feos-dft Relase v0.3.0 (#31)

prehner · web-flow · commit 6ef9bd58bab1 · 2022-07-13T09:55:03.000+02:00
diff --git a/Cargo.toml b/Cargo.toml
@@ -25,7 +25,7 @@ crate-type = ["rlib", "cdylib"]
 quantity = "0.5"
 num-dual = "0.5"
 feos-core = { version = "0.3", path = "feos-core" }
-feos-dft = { version = "0.2", path = "feos-dft", optional = true }
+feos-dft = { version = "0.3", path = "feos-dft", optional = true }
 feos-saft = { version = "0.1", path = "feos-saft", optional = true }
 numpy = { version = "0.16", optional = true }
 ndarray = { version = "0.15", features = ["approx"] }
diff --git a/feos-dft/CHANGELOG.md b/feos-dft/CHANGELOG.md
@@ -5,6 +5,8 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/),
 and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html).
 
 ## [Unreleased]
+
+## [0.3.0] - 2022-07-13
 ### Added
 - Added getters for the fields of `Pore1D` in Python. [#30](https://github.com/feos-org/feos-dft/pull/30)
 - Added Steele potential with custom combining rules. [#29](https://github.com/feos-org/feos/pull/29)
diff --git a/feos-dft/Cargo.toml b/feos-dft/Cargo.toml
@@ -1,7 +1,7 @@
 [package]
 name = "feos-dft"
-version = "0.2.0"
-authors = ["Philipp Rehner <prehner@ethz.ch>"]
+version = "0.3.0"
+authors = ["Philipp Rehner <prehner@ethz.ch>", "Gernot Bauer <bauer@itt.uni-stuttgart.de>"]
 edition = "2021"
 license = "MIT OR Apache-2.0"
 description = "Generic classical DFT implementations for the `feos` project."
diff --git a/feos-dft/README.md b/feos-dft/README.md
@@ -3,21 +3,19 @@
 [![crate](https://img.shields.io/crates/v/feos-dft.svg)](https://crates.io/crates/feos-dft)
 [![documentation](https://docs.rs/feos-dft/badge.svg)](https://docs.rs/feos-dft)
 
-Generic classical DFT implementations for the `feos` project.
+Generic classical density functional theory (DFT) implementations for the `feos` project.
 
 The crate makes use of efficient numerical methods to calculate density profiles in inhomogeneous systems. Highlights include:
-- Fast calculationof convolution integrals in cartesian (1D, 2D and 3D), polar, cylindrical, and spherical coordinate systems using FFT and related algorithms.
+- Fast calculation of convolution integrals in cartesian (1D, 2D and 3D), polar, cylindrical, and spherical coordinate systems using FFT and related algorithms.
 - Automatic calculation of partial derivatives of Helmholtz energy densities (including temperature derivatives) using automatic differentiation with [generalized (hyper-) dual numbers](https://github.com/itt-ustutt/num-dual).
 - Modeling of heterosegmented molecules, including branched molecules.
 - Functionalities for calculating surface tensions, adsorption isotherms, pair correlation functions, and solvation free energies.
 
-As an example and for testing purposes different versions of fundamental measure theory for hard-sphere systems are included. Implementations for more sophisticated models can be found in the [feos](https://github.com/feos-org/feos) repository.
-
 ## Installation
 
 Add this to your `Cargo.toml`
 
 ```toml
 [dependencies]
-feos-dft = "0.2"
+feos-dft = "0.3"
 ```
diff --git a/feos-saft/Cargo.toml b/feos-saft/Cargo.toml
@@ -19,7 +19,7 @@ rustdoc-args = [ "--html-in-header", "./docs-header.html" ]
 [dependencies]
 num-dual = { version = "0.5", features = ["linalg"] }
 feos-core = { version = "0.3", path = "../feos-core" }
-feos-dft = { version = "0.2", path = "../feos-dft", optional = true }
+feos-dft = { version = "0.3", path = "../feos-dft", optional = true }
 ndarray = { version = "0.15", features = ["serde"] }
 pyo3 = { version = "0.16", optional = true }
 serde = "1.0"
