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Getting Started

Installation

Download and install the Julia programming language, at version 1.6 or higher. PoreMatMod.jl is not currently stable on version 1.7.

To install PoreMadMod.jl (officially registered as a Julia package), in the Julia REPL, enter the package manager by typing ] and enter:

pkg> add PoreMatMod

Loading 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 PoreMatMod

We 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 PoreMatMod
Note

PoreMatMod.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 a Crystal