masci-tools is a collection of tools for materials science.
This is a collection of tools, common things used by packages of material science.
Feel free to contribute.
The code is hosted on GitHub at https://github.com/JuDFTteam/masci-tools
The documentation is hosted on https://masci-tools.readthedocs.io.
Most functionality was developed for the use with the DFT codes developed at the Forschungszentrum Jülich (see http://judft.de, https://flapw.de and https://jukkr.fz-juelich.de for further information on the codes) and in the context of the AiiDA plugins for the Fleur code and the KKR code.
pip install masci-tools
These python packages are needed:
It should not depend on
- Contains methods to write certain files
io.parsers: Contains parsers of certain code output or input files
- Contains utilities/fixtures for testing that can be useful outside the package
- Contains rather low-level utility
- Contains rather high-level utility which is rather complete
- Contains a collection of matplotlib/bokeh methods used for plotting common results from material science simulations, e.g. bandstructures, DOS, ...
- Contains a small click command line interface exposing some parts of the library
masci-tools is distributed under the terms and conditions of the MIT license which is specified in the
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