Tools for Materials science. Vis contains wrappers of matplotlib functionality to visualize common material science data. Plus wrappers of visualisation for aiida-fleur workflow nodes
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
- auto tests of
- auto tests of
- Contains rather low level utility
- Contains rather highlevel utility which is rather complete
- Contain a collection of matplotlib, pyplot, gnuplot methods used for ploting common results from material science simulations, e.g. bandsstructures, DOS, ...
masci-tools is distributed under the terms and conditions of the MIT license which is specified in the
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