Metadata-Version: 2.0
Name: physical-validation
Version: 1.0.0rc2
Summary: Physical validation of molecular simulation results
Home-page: https://physical-validation.readthedocs.io
Author: Pascal T. Merz and Michael R. Shirts
Author-email: pascal.merz@colorado.edu, michael.shirts@colorado.edu
License: LGPLv2.1
Project-URL: Bug Reports, https://github.com/shirtsgroup/physical_validation/issues
Project-URL: Documentation, https://physical-validation.readthedocs.io
Project-URL: Source, https://github.com/shirtsgroup/physical_validation
Description-Content-Type: UNKNOWN
Keywords: physical-validation,molecular-simulation,molecular-dynamics,molecular-mechanics
Platform: UNKNOWN
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: GNU Lesser General Public License v2 (LGPLv2)
Classifier: Natural Language :: English
Classifier: Programming Language :: Python :: 2
Classifier: Programming Language :: Python :: 2.7
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.4
Classifier: Programming Language :: Python :: 3.5
Classifier: Programming Language :: Python :: 3.6
Classifier: Environment :: Console
Classifier: Topic :: Scientific/Engineering
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Software Development :: Libraries :: Python Modules
Requires-Dist: numpy
Requires-Dist: scipy
Requires-Dist: pymbar


Physical validation reference
=============================

`physical_validation` is a package aimed at testing results obtained
by molecular dynamics simulations for their physical validity.

Please check
[https://physical-validation.readthedocs.io](http://physical-validation.readthedocs.io)
for the full reference.

`physical_validation` largely incorporates the functionality of
[checkensemble](https://github.com/shirtsgroup/checkensemble).

This software is developed in the Shirts group at University of 
Colorado in Boulder.


