| Documentation | Build Status | Others |
|---|---|---|
  |
    |
  |
QuantumESPRESSO.jl is simply a wrapper of the types, methods, and commands defined in QuantumESPRESSOBase.jl, QuantumESPRESSOParser.jl, QuantumESPRESSOFormatter.jl, and QuantumESPRESSOCommands.jl under a common namespace.
The code is hosted on GitHub, with some continuous integration services to test its validity.
This repository is created and maintained by @singularitti. You are very welcome to contribute.
The package can be installed with the Julia package manager.
From the Julia REPL, type ] to enter the Pkg REPL mode and run:
pkg> add QuantumESPRESSO
Or, equivalently, via the Pkg API:
julia> import Pkg; Pkg.add("QuantumESPRESSO")- STABLE — documentation of the most recently tagged version.
- DEV — documentation of the in-development version.
The package is tested against, and being developed for, Julia 1.6 and above on Linux,
macOS, and Windows.
You are welcome to post usage questions on our discussion page.
Contributions are very welcome, as are feature requests and suggestions. Please open an issue if you encounter any problems. The Contributing page has guidelines that should be followed when opening pull requests and contributing code.