{ "info": { "author": "Pu Du", "author_email": "pudugg@gmail.com", "bugtrack_url": null, "classifiers": [ "Development Status :: 2 - Pre-Alpha", "Environment :: Console", "License :: OSI Approved :: MIT License", "Programming Language :: Python :: 2.7", "Programming Language :: Python :: 3.4", "Programming Language :: Python :: 3.5", "Programming Language :: Python :: 3.6", "Topic :: Scientific/Engineering :: Chemistry", "Topic :: Scientific/Engineering :: Physics" ], "description": ".. image:: https://raw.githubusercontent.com/ipudu/order/master/docs/_static/images/order_small.png\n :target: http://order.readthedocs.io/\n :align: center\n\n========================\n\n.. image:: https://img.shields.io/travis/ipudu/order.svg\n :target: https://travis-ci.org/ipudu/order\n\n.. image:: https://img.shields.io/pypi/v/iorder.svg\n :target: https://pypi.python.org/pypi/iorder\n\n.. image:: https://img.shields.io/pypi/l/iorder.svg\n :target: https://pypi.python.org/pypi/iorder\n\n.. image:: https://img.shields.io/pypi/pyversions/iorder.svg\n :target: https://pypi.python.org/pypi/iorder\n\n.. image:: https://readthedocs.org/projects/order/badge/?version=latest\n :target: http://order.readthedocs.io/en/latest/?badge=latest\n :alt: Documentation Status\n\n.. image:: https://zenodo.org/badge/96138460.svg\n :target: https://zenodo.org/badge/latestdoi/96138460\n\nA tool to characterize the local structure of liquid water by geometric order parameters.\n\nGetting started\n---------------\n\nInstallation:\n\n.. code-block:: console\n\n $ pip install iorder\n\nor\n\n.. code-block:: console\n\n $ git clone https://github.com/ipudu/order\n $ cd order\n $ python setup.py install\n\nRunning:\n\n.. code-block:: console\n \n # calculate bar parmeter for center atom of O\n $ order foo.xyz -t bar -c 'O' -f 100 -b 100\n\nFeature Support\n---------------\n\n**Order** is ready to calculate several geometric order parameters:\n\n- Orientational Tetrahedral Order\n- Translational Tetrahedral Order\n- Asphericity of the Voronoi Cell\n- Ionic Conductivity\n- and more\n\nDocumentation\n-------------\n\nThe documentation of Order is available at http://order.readthedocs.io/.\n\nContributing\n------------\n\nContributions to this library are always welcome and highly appreciated.\n\nLicense\n-------\n\nMIT - See the LICENSE_ for more information.\n\n.. _LICENSE: https://github.com/ipudu/order/blob/master/LICENSE", "description_content_type": "", "docs_url": null, "download_url": "", "downloads": { "last_day": -1, "last_month": -1, "last_week": -1 }, "home_page": "https://github.com/ipudu/order", "keywords": "order parameter,water structure", "license": "MIT", "maintainer": "", "maintainer_email": "", "name": "iOrder", "package_url": "https://pypi.org/project/iOrder/", "platform": "", "project_url": "https://pypi.org/project/iOrder/", "project_urls": { "Homepage": "https://github.com/ipudu/order" }, "release_url": "https://pypi.org/project/iOrder/0.0.3/", "requires_dist": null, "requires_python": "", "summary": "A tool to characterize the local structure of liquid water by geometric order parameters", "version": "0.0.3" }, "last_serial": 4049026, "releases": { "0.0.2": [ { "comment_text": "", "digests": { "md5": "ee4a334aff987f82d4b0c1617aef2217", "sha256": "66c08b895cdf41f8b9f43343fb061b6cfd2c9961d79fa79002720da63e06ac38" }, "downloads": -1, "filename": "iOrder-0.0.2.tar.gz", "has_sig": false, "md5_digest": "ee4a334aff987f82d4b0c1617aef2217", "packagetype": "sdist", "python_version": "source", "requires_python": null, "size": 7954, "upload_time": "2017-09-20T17:32:06", "url": "https://files.pythonhosted.org/packages/78/8e/441943014ffce4b43700308908307852409f88e9d03ba6771c002be4f935/iOrder-0.0.2.tar.gz" } ], "0.0.3": [ { "comment_text": "", "digests": { "md5": "3236d929ba6465eaa48184ee0f230373", "sha256": "ad83195baad7220a9a14a16690c80766256dcdeb26805bad4c0b3dfb5d91d118" }, "downloads": -1, "filename": "iOrder-0.0.3.tar.gz", "has_sig": false, "md5_digest": "3236d929ba6465eaa48184ee0f230373", "packagetype": "sdist", "python_version": "source", "requires_python": null, "size": 10105, "upload_time": "2018-07-10T23:16:47", "url": "https://files.pythonhosted.org/packages/f5/2e/dc99f588f429d526dcc6a3ad8a2d787eb5b3d7cb1392200cf6dca3312750/iOrder-0.0.3.tar.gz" } ] }, "urls": [ { "comment_text": "", "digests": { "md5": "3236d929ba6465eaa48184ee0f230373", "sha256": "ad83195baad7220a9a14a16690c80766256dcdeb26805bad4c0b3dfb5d91d118" }, "downloads": -1, "filename": "iOrder-0.0.3.tar.gz", "has_sig": false, "md5_digest": "3236d929ba6465eaa48184ee0f230373", "packagetype": "sdist", "python_version": "source", "requires_python": null, "size": 10105, "upload_time": "2018-07-10T23:16:47", "url": "https://files.pythonhosted.org/packages/f5/2e/dc99f588f429d526dcc6a3ad8a2d787eb5b3d7cb1392200cf6dca3312750/iOrder-0.0.3.tar.gz" } ] }