coudertlab / CrystalNets.jl

A julia package for the manipulation of crystal net representations and topology

CrystalNets

A Julia package for determining the topology of a net.

You can use this package through our website interface without any installation required: https://progs.coudert.name/topology !

You can also use it by calling it from Python.

The installation follows the usual procedure. Start by downloading and installing Julia, version 1.6 at least for CrystalNets.jl. This package was optimized with Julia version 1.8 so performance and latency will be better on the more recent versions of Julia. Then, either

• open the Julia REPL and enter the package manager by typing ], then install CrystalNets.jl by entering:

  pkg> add CrystalNets

• alternatively, you can do it from a shell by executing:

  julia -e 'import Pkg; Pkg.add("CrystalNets")'

Please read the documentation for more information on the use of CrystalNets.jl and alternative installation as an executable to reduce latency.

The companion article is published in SciPost Chemistry: doi: 10.21468/SciPostChem.1.2.005.