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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.
- Define crystal lattices and cells
- Compute reciprocal lattices
- Generate supercells and k-point grids
- Enable math utilities for crystal properties
The package can be installed with the Julia package manager.
From the Julia REPL, type ] to enter
the Pkg mode and run:
pkg> add CrystallographyBaseOr, equivalently, via Pkg.jl:
julia> import Pkg; Pkg.add("CrystallographyBase")- STABLE — documentation of the most recently tagged version.
- DEV — documentation of the in-development version.
The package is developed for and tested against Julia v1.6 and above on Linux, macOS, and
Windows.
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.