Metadata-Version: 2.1
Name: elastic
Version: 5.1.0.12
Summary: Extension for ASE to calculate elastic constants
Home-page: https://github.com/jochym/Elastic
Author: Paweł T. Jochym
Author-email: Pawel.Jochym@ifj.edu.pl
License: GPLv3
Description: Elastic
        =======
        
        [![Build
        Status](https://travis-ci.org/jochym/Elastic.svg?branch=master)](https://travis-ci.org/jochym/Elastic)
        [![PVersion
        Badge](https://img.shields.io/pypi/v/elastic.svg)](https://pypi.org/project/elastic/)
        [![CVersion
        Badge](https://anaconda.org/conda-forge/elastic/badges/version.svg)](https://anaconda.org/conda-forge/elastic)
        [![Downloads
        Badge](https://anaconda.org/conda-forge/elastic/badges/downloads.svg)](https://anaconda.org/conda-forge/elastic)
        [![License
        Badge](https://anaconda.org/jochym/elastic/badges/license.svg)](https://anaconda.org/jochym/elastic)
        [![DOI](https://zenodo.org/badge/doi/10.5281/zenodo.593721.svg)](https://doi.org/10.5281/zenodo.593721)
        [![Codacy Badge](https://api.codacy.com/project/badge/Grade/9f348d724d564ce399beb009ab9a3654)](https://www.codacy.com/app/jochym/Elastic?utm_source=github.com&utm_medium=referral&utm_content=jochym/Elastic&utm_campaign=badger)
        
        Elastic is a set of python routines for calculation of elastic
        properties of crystals (elastic constants, equation of state, sound
        velocities, etc.). It is a third version of the in-house code I have
        written over few years and is implemented as a extension to the
        [ASE](https://wiki.fysik.dtu.dk/ase/) system. The code was a basis for
        some of my publications and was described briefly in these papers. The
        code was available to anyone, presented at the [Workshop on ab initio
        Calculations in Geosciences](http://wolf.ifj.edu.pl/workshop/work2008/)
        and used by some of my co-workers. This code is a re-implementation of
        elastic as a module for the ASE.
        
        The on-line documentation is placed on
        [ReadTheDocs](http://elastic.rtfd.org/) or [Elastic
        website](http://wolf.ifj.edu.pl/elastic/). You can obtain the
        [documentation as a PDF
        file](https://media.readthedocs.org/pdf/elastic/stable/elastic.pdf) as
        well.
        
        The docs are also published at: [Elastic over
        IPFS](https://ipfs.io/ipns/QmSHUr59SLvWEZq7URTDGgouVaq7vFJYG7HqtBgL4s6M2u/)
        
        The stable site hash is:
        /ipns/QmSHUr59SLvWEZq7URTDGgouVaq7vFJYG7HqtBgL4s6M2u/
        
        Installation
        ------------
        
        The installation is simple if you are using conda package menager:
        
            conda install -c conda-forge elastic
        
        If you need a more elaborate [installation
        instruction](http://nbviewer.ipython.org/github/jochym/qe-doc/blob/master/Installation.ipynb)
        for computing environment to work with ASE - I have written just such a
        document. It is a first in the series of tutorials of this subject and
        you can find it under nbviewer link above.
        
        The project is open and I welcome patches, ideas and other feedback.
        
        Acknowledgments
        ---------------
        
        In the past the project was partially supported by:
        
        -   Department of Computational Material Science, Institute of Nuclear
            Physics, PAN, Poland
        -   Department of Engineering, University of Saskatchewan, Canada
        
Keywords: science,physics,ase,elastic constants,crystals
Platform: all
Requires: click
Requires: spglib
Requires: numpy
Requires: scipy
Requires: ase
Provides: elastic
Provides: parcalc
Description-Content-Type: text/x-rst
