CrystallographyBase

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Stable Dev Build Status Build Status Build Status pipeline status Coverage GitHub license Code Style: Blue

The code, which is hosted on GitHub, is tested using various continuous integration services for its validity.

This repository is created and maintained by @singularitti, and contributions are highly welcome.

Package features

  • Define crystal lattices and cells
  • Compute reciprocal lattices
  • Generate supercells and k-point grids
  • Enable math utilities for crystal properties

Installation

The package can be installed with the Julia package manager. From the Julia REPL, type ] to enter the Pkg mode and run:

pkg> add CrystallographyBase

Or, equivalently, via Pkg.jl:

julia> import Pkg; Pkg.add("CrystallographyBase")

Documentation

  • STABLE — documentation of the most recently tagged version.
  • DEV — documentation of the in-development version.

Project status

The package is developed for and tested against Julia v1.6 and above on Linux, macOS, and Windows.

Questions and contributions

You can post usage questions on our discussion page.

We welcome contributions, feature requests, and suggestions. If you encounter any problems, please open an issue. The Contributing page has a few guidelines that should be followed when opening pull requests and contributing code.