Getting Started
Installation
Download and install the Julia programming language, v1.6 or higher.
To install PoreMadMod.jl (officially registered as a Julia package), in the Julia REPL, enter the package manager by typing ] and enter:
pkg> add PoreMatModLoading the PoreMatMod.jl package
To load the PoreMatMod.jl package, so that its functions are imported into your namespace, in your Julia code:
julia> using PoreMatModWe recommend writing Julia code and performing find-and-replace tasks with PoreMadMod.jl using interactive Pluto notebooks.
Running tests (optional)
Run the unit tests associated with PoreMatMod.jl by entering package mode in the Julia REPL via (]) and entering:
pkg> test PoreMatModPoreMatMod.jl is built on Xtals.jl, which provides:
- the data structure and reader,
Crystal, for crystal structures - the
infer_bonds!function that assigns bonds between atoms of aCrystal