xtal

xtal is an umbrella package for various tools used to manipulate atomic trajectories. Works with LAMMPS, RXMD, and VASP structure files.

Installation

Install from PyPI using

python3 -m pip install xtal

Contributing

Contributing to xtal is easy, simply fork the repo, add your code and documentation and submit a pull request. For consistency with the existing codebase, please follow the Google Python style guide as closely as possible.

License

The xtal source code and documentation are distributed 'as is' under the MIT License.