Metadata-Version: 2.1
Name: masci_tools
Version: 0.3.10
Summary: 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
Home-page: https://github.com/JuDFTteam/masci-tools
Author: Jens Broeder
Author-email: j.broeder@fz-juelich.de
License: MIT License, see LICENSE.txt file.
Description: [![Build Status](https://travis-ci.com/JuDFTteam/masci-tools.svg?branch=master)](https://travis-ci.com/JuDFTteam/masci-tools)
        [![Coverage Status](https://codecov.io/gh/JuDFTteam/masci-tools/branch/master/graph/badge.svg)](https://codecov.io/gh/JuDFTteam/masci-tools)
        [![Documentation Status](https://readthedocs.org/projects/masci-tools/badge/?version=latest)](https://masci-tools.readthedocs.io/en/latest/?badge=latest)
        [![GitHub version](https://badge.fury.io/gh/JuDFTteam%2Fmasci-tools.svg)](https://badge.fury.io/gh/JuDFTteam%2Fmasci-tools)
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        # 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](https://github.com/JuDFTteam/aiida-fleur) and the [KKR code](https://github.com/JuDFTteam/aiida-kkr).
        
        ## Installation
        
        ```
        pip install masci-tools
        ```
        
        ## Dependencies
        
        These python packages are needed:
        * `pymatgen`
        * `ase`
        * `lxml`
        * `matplotlib`
        * `h5py`
        
        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
        * `tests`
            * auto tests of `masci-tools` functions
        * `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.
        
Keywords: material science plots fitting visualization aiida dft all-electron
Platform: UNKNOWN
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python :: 2
Classifier: Programming Language :: Python :: 2.7
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.4
Classifier: Programming Language :: Python :: 3.5
Classifier: Programming Language :: Python :: 3.6
Classifier: Topic :: Scientific/Engineering :: Physics
Description-Content-Type: text/markdown
Provides-Extra: pre-commit
