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Spglib.jl is a Julia wrapper of the C library Spglib.
It is used for finding and handling crystal symmetries.
There was a package LibSymspg.jl
by @unkcpz.
However, it is no longer actively maintained.
Moreover, it does not support the latest versions of Spglib.
It also has some different design decisions with this package, including, but not limited to, naming conventions, input types, and return types of functions.
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.
- It enables the finding and handling of crystal symmetries.
- The design of the package includes new naming conventions, input types, and return types of functions.
The package can be installed with the Julia package manager.
From the Julia REPL, type ] to enter
the Pkg mode and run:
pkg> add SpglibOr, equivalently, via Pkg.jl:
julia> import Pkg; Pkg.add("Spglib")- 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.