A pure-Julia package for representation of porous crystals such as metal-organic frameworks (MOFs).

In development, please contribute, post issues 🐛, and improve!

Installation

1. Download and install the Julia programming language,

v1.5 or higher.

1. In Julia, open the package manager (using ]) and enter the following:

pkg> add Xtals

1. In Julia, load all functions in Xtals.jl into the namespace:

julia> using Xtals # that's it

Tests

Run the tests in the script tests/runtests.jl manually or by ] test Xtals in the Julia REPL.