Metadata-Version: 2.1
Name: elastic
Version: 5.0.9
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| |PVersion Badge| |CVersion Badge| |Downloads Badge| |License Badge| |DOI| |Codacy Badge|
        
        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
        
        .. |DOI| image:: https://zenodo.org/badge/doi/10.5281/zenodo.18759.svg
           :target: http://dx.doi.org/10.5281/zenodo.18759
        .. |Build Status| image:: https://travis-ci.org/jochym/Elastic.svg?branch=master
           :target: https://travis-ci.org/jochym/Elastic
        .. |PVersion Badge| image:: https://img.shields.io/pypi/v/elastic.svg   
           :target: https://pypi.org/project/elastic/
        .. |CVersion Badge| image:: https://anaconda.org/conda-forge/elastic/badges/version.svg
           :target: https://anaconda.org/conda-forge/elastic
        .. |Downloads Badge| image:: https://anaconda.org/jochym/elastic/badges/downloads.svg
           :target: https://anaconda.org/jochym/elastic
        .. |License Badge| image:: https://anaconda.org/jochym/elastic/badges/license.svg
           :target: https://anaconda.org/jochym/elastic
        .. |Codacy Badge| image:: https://api.codacy.com/project/badge/Grade/9f348d724d564ce399beb009ab9a3654
           :alt: Codacy Badge
           :target: https://www.codacy.com/app/jochym/Elastic?utm_source=github.com&utm_medium=referral&utm_content=jochym/Elastic&utm_campaign=badger
        
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
