https://github.com/coudertlab/crystalnets.jl

A julia package for the manipulation of crystal net representations and topology
https://github.com/coudertlab/crystalnets.jl

chemical crystal julia topology

Last synced: 5 months ago
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A julia package for the manipulation of crystal net representations and topology

• Host: GitHub
• URL: https://github.com/coudertlab/crystalnets.jl
• Owner: coudertlab
• License: mit
• Created: 2020-03-11T08:42:24.000Z (about 5 years ago)
• Default Branch: master
• Last Pushed: 2024-10-18T12:39:27.000Z (7 months ago)
• Last Synced: 2024-10-19T05:17:49.550Z (7 months ago)
• Topics: chemical, crystal, julia, topology
• Language: Julia
• Homepage:
• Size: 4.78 MB
• Stars: 40
• Watchers: 5
• Forks: 3
• Open Issues: 1
• Metadata Files:
  • Readme: README.md
  • License: LICENSE
  • Citation: CITATION.cff

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README

        
# CrystalNets

[![Build Status](https://github.com/coudertlab/CrystalNets.jl/actions/workflows/CI.yml/badge.svg?branch=master)](https://github.com/coudertlab/CrystalNets.jl/actions/workflows/CI.yml?query=branch%3Amaster)

[![](https://img.shields.io/badge/docs-dev-blue.svg)](https://coudertlab.github.io/CrystalNets.jl/dev)

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](https://coudertlab.github.io/CrystalNets.jl/dev/python).

The installation follows the usual procedure. Start by downloading and installing [Julia](https://julialang.org/), 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:

  ```julia

  pkg> add CrystalNets

  ```

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

  ```bash

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

  ```

Please read [the documentation](https://coudertlab.github.io/CrystalNets.jl/dev) for more

information on the use of CrystalNets.jl and [alternative installation as an executable](https://coudertlab.github.io/CrystalNets.jl/dev/#Full-installation) to reduce latency.

The companion article is published in SciPost Chemistry: [doi: 10.21468/SciPostChem.1.2.005](https://doi.org/10.21468/SciPostChem.1.2.005).