ZacrosTools is a versatile toolkit designed to simplify the preparation of Zacros input files and the reading of Zacros output files. It is especially useful for performing pressure and temperature scans, which often require the generation of numerous input files and the processing of extensive output data.
Key Features
- Automatize the creation of Zacros input files
- Perform scans over different pressures and temperatures
- Quickly read, analyze, and process Zacros output files
- Easily plot heatmaps from the simulation results
- Extensive documentation with detailed examples to help users get started
Installation
ZacrosTools is available on PyPI and can be installed using pip:
pip install zacrostools
Prerequisites:
Alternatively, the latest development version can be installed from GitHub as follows:
git clone https://github.com/hprats/ZacrosTools.git
cd ZacrosTools
pip install .
Documentation
Comprehensive documentation is available at zacrostools.readthedocs.io.
Changelog
For a detailed list of changes, see CHANGELOG.md.
What's next
We plan to continue improving ZacrosTools with additional features, optimizations, and support for more advanced Zacros functionalities. Contributions are welcome!
License
This project is licensed under the MIT License - see the LICENSE file for details.
Contributors
- Hector Prats - hector.prats@tuwien.ac.at
Acknowledgements
- Zeyu Wu
1 maintainer
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