Tools for Materials science. Vis contains wrapers of matplotlib functionality to visualalize common material science data. Plus wrapers of visualisation for aiida-fleur workflow nodes
Project description
masci-tools
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.
Installation
pip install masci-tools
Dependencies
These python packages are needed:
pymatgenaselxmlmatplotlibh5py
It should not depend on aiida_core!
Layout ofmasci-tools
io- Contains methods to write certain files
io.parsers: Contains parsers of certain code output or input files
tests- auto tests of
masci-toolsfunctions
- auto tests of
util- Contains rather low level utility
tools- Contains rather highlevel utility which is rather complete
vis- Contain a collection of matplotlib, pyplot, gnuplot methods used for ploting common results from material science simulations, e.g. bandsstructures, DOS, ...
License
masci-tools is distributed under the terms and conditions of the MIT license which is specified in the LICENSE.txt file.
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