Metadata-Version: 2.1
Name: crystal-builder-step
Version: 2021.2.10
Summary:  
Home-page: https://github.com/molssi-seamm/crystal_builder_step
Author: Paul Saxe
Author-email: psaxe@molssi.org
License: BSD-3-Clause
Description: ====================
        Crystal Builder Step
        ====================
        
        .. image:: https://img.shields.io/github/issues-pr-raw/molssi-seamm/crystal_builder_step
           :target: https://github.com/molssi-seamm/crystal_builder_step/pulls
           :alt: GitHub pull requests
        
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           :target: https://github.com/molssi-seamm/crystal_builder_step/actions
           :alt: Build Status
        
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           :target: https://codecov.io/gh/molssi-seamm/crystal_builder_step
           :alt: Code Coverage
        
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           :target: https://lgtm.com/projects/g/molssi-seamm/crystal_builder_step/context:python
           :alt: Code Quality
        
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           :target: https://molssi-seamm.github.io/crystal_builder_step/index.html
           :alt: Documentation Status
        
        .. image:: https://pyup.io/repos/github/molssi-seamm/crystal_builder_step/shield.svg
           :target: https://pyup.io/repos/github/molssi-seamm/crystal_builder_step/
           :alt: Updates for Dependencies
        
        .. image:: https://img.shields.io/pypi/v/crystal_builder_step.svg
           :target: https://pypi.python.org/pypi/crystal_builder_step
           :alt: PyPi VERSION
        
        Description
        -----------
        
        A SEAMM plug-in for building crystals from prototypes. This plug-in
        provides an interface to the `AFLOW Encyclopedia of Crystallographic
        Prototypes`_. Users can specify the prototype, elements to place in
        the positions, as well as the lattice parameter, creating a crystal
        for subsequent editing and building steps and for simulations using
        the range of codes supported by SEAMM.
        
        * Free software: BSD-3-Clause
        * Documentation: https://molssi-seamm.github.io/crystal_builder_step/index.html
        
        .. _AFLOW Encyclopedia of Crystallographic Prototypes: http://www.aflowlib.org/prototype-encyclopedia/
        
        Features
        --------
        
        * 590 crystal prototypes.
        * Selection by common prototypes, such as FCC, BCC, and Diamond
        * Selection by Strukturbericht designation.
        * Searching by number of atomice sites in the prototype.
        * Specification of elements for each site in a prototype.
        * Specification of cell parameters to override the defaults.
        
        Credits
        ---------
        
        This package was created with Cookiecutter_ and the `molssi-seamm/cookiecutter-seamm-plugin`_ project template.
        
        .. _Cookiecutter: https://github.com/audreyr/cookiecutter
        .. _`molssi-seamm/cookiecutter-seamm-plugin`: https://github.com/molssi-seamm/cookiecutter-seamm-plugin
        
        Developed by the Molecular Sciences Software Institute (MolSSI_),
        which receives funding from the `National Science Foundation`_ under
        award ACI-1547580
        
        .. _MolSSI: https://www.molssi.org
        .. _`National Science Foundation`: https://www.nsf.gov
        
        
        
        =======
        History
        =======
        
        0.1 (2020-08-06)
        ----------------
        
        * First release on PyPI.
        
Keywords: SEAMM,plug-in,flowchart,crystal,Strukturbericht
Platform: Linux
Platform: Mac OS-X
Platform: Unix
Platform: Windows
Classifier: Development Status :: 2 - Pre-Alpha
Classifier: Intended Audience :: Science/Research
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: License :: OSI Approved :: BSD License
Classifier: Natural Language :: English
Classifier: Programming Language :: Python :: 3 :: Only
Classifier: Programming Language :: Python :: 3.6
Classifier: Programming Language :: Python :: 3.7
Description-Content-Type: text/x-rst
