Multi-Threaded Bader Charge Partitioning. Based on methods presented in [Yu Min and Trinkle Dallas R. 2011 J. Che.m Phys. 134 064111] and [W Tang et al 2009 J. Phys.: Condens. Matter 21 084204] with adaptions for multi-threading.
The easiest way to install is via [cargo].
sh
$ cargo install bader
To compile from source run the following which will create the ./target/release/bader executable.
sh
$ git clone -b v0.1.0 https://github.com/kerrigoon/bader-rs
$ cd bader-rs
$ cargo build --verbose --release
From here you can either move or link the binary to folder in your path.
sh
$ mv ./target/release/bader ~/bin
For a detailed list of usage options run
sh
$ bader --help
MIT