Metadata-Version: 2.1
Name: vise
Version: 0.1.6
Summary: Package for handling io of vasp package in kumagai group at Tokyo Institute of Technology
Home-page: https://github.com/kumagai-group/vise
Author: Yu Kumagai
Author-email: yuuukuma@gmail.com
License: MIT license
Description: ![PyPI - License](https://img.shields.io/pypi/l/vise?color=blue)
        ![PyPI - Python Version](https://img.shields.io/pypi/pyversions/vise)
        [![CircleCI](https://circleci.com/gh/kumagai-group/vise/tree/master.svg?style=shield)](https://circleci.com/gh/kumagai-group/vise/tree/master)
        
        vise
        =========
        Vasp Integrated Simulation Environment (vise) is a collection of tools that 
        supports VASP users to prepare input files for the VASP calculations, handle its calculation errors, and analyze its results.
        
        **Note: Units used in pydefect are eV for energy and angstrom for length following the vasp convention.**
        
        Installation instructions
        ---------------------------------------------------------
        1. Requirements
          - Python 3.6 or higher
          - pymatgen
          - matplotlib
          - spglib
          - seekpath
          - custodian
          - PyYAML
          - monty
          - numpy
          - scipy
          - tabulate
          - palettable
        
        
        2. Latest stable version is released at PyPI repository, so one can download 
        it using `pip install vise`.
        
        
        Executing this software
        ---------------------------------------------------------
        
        1. Command line method
          - execute ***vise -h*** for detailed description of available options
        
        3. Usage as a module
          - vise can be imported as a python module
        <!--
        Input files for several materials can be found in the same example/inputs directory.
        More information in the online manual at: http://xxxx
        -->
        Files and directories included in vise distribution
        --------------------------------------------------------
        ~~~
          README                    : introduction
          LICENSE                   : the MIT license 
          setup.py                  : installation script
          requirements.txt          : list of required packages
        
          /vise/analyzer            : tools for VASP analysis especially for band figure and density of states
          /vise/chempotdiag         : tools for drawing the chemical potential diagram
          /vise/cli                 : command line interfaces
          /vise/custodian_extension : original custodian exention
          /vise/input_set           : tools for generating VASP input files
          /vise/test_files          : test files used mainly for unitests
          /vise/util                : useful tools 
        ~~~~
        
        License
        -----------------------
        Python code is licensed under the MIT License.
        
        Development notes
        -----------------
        ### Bugs, requests and questions
        Please use the [Issue Tracker](https://github.com/kumagai-group/vise/issues) to report bugs, request features.
        
        ### Code contributions
        We are always welcome people who want to make vise better.
        Please use the ["Fork and Pull"](https://guides.github.com/activities/forking/) workflow to make contributions and stick as closely as possible to the following:
        
        - Code style follows [PEP8](http://www.python.org/dev/peps/pep-0008) and [Google's writing style](https://google.github.io/styleguide/pyguide.html).
        - Add unittests wherever possible including scripts for command line interfaces.
        
        ### Tests
        Run the tests using `pytest vise`.
        We also use integrated testing on Github via [circleCI]().
        
        Contributors
        --------------------------------------------------------
        Yu Kumagai<br>
        Akira Takahashi
        
        Contact info
        ---------------------------------------------------------
        Yu Kumagai<br>
        yuuukuma@gmail.co.jp
        
        Tokyo Institute of Technology (Japan)
        
        
Platform: UNKNOWN
Classifier: Programming Language :: Python :: 3.6
Classifier: License :: OSI Approved :: MIT License
Requires-Python: >=3.6
Description-Content-Type: text/markdown
