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.
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.
Installation
pip install masci-tools
Dependencies
These python packages are needed:
lxmlh5pydeepdiffhumanfriendlymatplotlibseabornasepymatgenmendeleevclickclick-completionPyYAMLtabulate
It should not depend on aiida-core!
Layout of masci-tools
io- Contains methods to write certain files
io.parsers: Contains parsers of certain code output or input files
testing- Contains utilities/fixtures for testing that can be useful outside the package
util- Contains rather low-level utility
tools- Contains rather high-level utility which is rather complete
vis- Contains a collection of matplotlib/bokeh methods used for plotting common results from material science simulations, e.g. bandstructures, DOS, ...
cmdline- Contains a small click command line interface exposing some parts of the library
License
masci-tools is distributed under the terms and conditions of the MIT license which is specified in the LICENSE.txt file.
3 maintainers
Metadata
3 maintainers
Release files for masci-tools 0.15.0
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| masci-tools-0.15.0.tar.gz | 4.2 MB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| masci_tools-0.15.0-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 5.7 MB
Release files / masci-tools-0.15.0.tar.gz
| Download URL | masci-tools-0.15.0.tar.gz |
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| Size | 4.2 MB |
| Tags | Source |
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Release files / masci_tools-0.15.0-py3-none-any.whl
| Download URL | masci_tools-0.15.0-py3-none-any.whl |
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| Size | 1.5 MB |
| Tags | Python 3 |
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