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توضیحات

Utilities to perform stat mech analysis of pair potentials

ویژگی	مقدار
سیستم عامل	-
نام فایل	analphipy-0.0.4
نام	analphipy
نسخه کتابخانه	0.0.4
نگهدارنده	[]
ایمیل نگهدارنده	[]
نویسنده	William P. Krekelberg
ایمیل نویسنده	wpk@nist.gov
آدرس صفحه اصلی	https://github.com/wpk-nist-gov/analphipy
آدرس اینترنتی	https://pypi.org/project/analphipy/
مجوز	NIST license

========= analphipy ========= Utilities to perform metric analysis on fluid pair potentials. The main features of ``analphipy`` as follows: * Pre-defined spherically symmetric potentials * Simple interface to extended to user defined pair potentials * Routines to calculate `Noro-Frenkel`_ effective parameters. * Routines to calculate `Jensen-Shannon`_ divergence Overview -------- ``analphipy`` is a python package to calculate metrics for classical models for pair potentials. It provides a simple and extendable api for pair potentials creation. Several routines to calculate metrics are included in the package. Links ----- * `Github <https://github.com/usnistgov/analphipy>`__ * `Documentation <https://pages.nist.gov/analphipy/index.html>`__ Examples -------- See `basic usage <docs/notebooks/usage.ipynb>`_ Or see the `full documentation <https://pages.nist.gov/analphipy/>`_ License ------- This is free software. See `LICENSE <LICENSE>`_ Contact ------- The author can be reached at wpk@nist.gov. Credits ------- This package was created with Cookiecutter_ and the `wpk-nist-gov/cookiecutter-pypackage`_ Project template forked from `audreyr/cookiecutter-pypackage`_. .. _Cookiecutter: https://github.com/audreyr/cookiecutter .. _`wpk-nist-gov/cookiecutter-pypackage`: https://github.com/wpk-nist-gov/cookiecutter-pypackage .. _`audreyr/cookiecutter-pypackage`: https://github.com/audreyr/cookiecutter-pypackage .. _`Noro-Frenkel`: https://en.wikipedia.org/wiki/Noro%E2%80%93Frenkel_law_of_corresponding_states .. _`Jensen-Shannon`: https://en.wikipedia.org/wiki/Jensen%E2%80%93Shannon_divergence ======= History ======= 0.0.1 (2021-12-09) ------------------ * First release on PyPI. This software was developed by employees of the National Institute of Standards and Technology (NIST), an agency of the Federal Government. Pursuant to title 17 United States Code Section 105, works of NIST employees are not subject to copyright protection in the United States and are considered to be in the public domain. Permission to freely use, copy, modify, and distribute this software and its documentation without fee is hereby granted, provided that this notice and disclaimer of warranty appears in all copies. THE SOFTWARE IS PROVIDED 'AS IS' WITHOUT ANY WARRANTY OF ANY KIND, EITHER EXPRESSED, IMPLIED, OR STATUTORY, INCLUDING, BUT NOT LIMITED TO, ANY WARRANTY THAT THE SOFTWARE WILL CONFORM TO SPECIFICATIONS, ANY IMPLIED WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE, AND FREEDOM FROM INFRINGEMENT, AND ANY WARRANTY THAT THE DOCUMENTATION WILL CONFORM TO THE SOFTWARE, OR ANY WARRANTY THAT THE SOFTWARE WILL BE ERROR FREE. IN NO EVENT SHALL NIST BE LIABLE FOR ANY DAMAGES, INCLUDING, BUT NOT LIMITED TO, DIRECT, INDIRECT, SPECIAL OR CONSEQUENTIAL DAMAGES, ARISING OUT OF, RESULTING FROM, OR IN ANY WAY CONNECTED WITH THIS SOFTWARE, WHETHER OR NOT BASED UPON WARRANTY, CONTRACT, TORT, OR OTHERWISE, WHETHER OR NOT INJURY WAS SUSTAINED BY PERSONS OR PROPERTY OR OTHERWISE, AND WHETHER OR NOT LOSS WAS SUSTAINED FROM, OR AROSE OUT OF THE RESULTS OF, OR USE OF, THE SOFTWARE OR SERVICES PROVIDED HEREUNDER. Distributions of NIST software should also include copyright and licensing statements of any third-party software that are legally bundled with the code in compliance with the conditions of those licenses.

نیازمندی

مقدار	نام
-	attrs
-	typing-extensions
-	numpy
-	scipy
-	custom-inherit
-	pandas
-	pytest
-	pytest-mypy
-	mypy

زبان مورد نیاز

مقدار	نام
>=3.7	Python

نحوه نصب

نصب پکیج whl analphipy-0.0.4:

pip install analphipy-0.0.4.whl

نصب پکیج tar.gz analphipy-0.0.4:

pip install analphipy-0.0.4.tar.gz