analphipy
Utilities to perform metric analysis on fluid pair potentials. The main features
of analphipy
as follows:
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.
Features
- 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
Status
This package is actively used by the author. Please feel free to create a pull request for wanted features and suggestions!
Quick start
Use one of the following to install analphipy
pip install analphipy
or
conda install -c wpk-nist analphipy
Example usage
import analphipy
Documentation
See the documentation for a look at analphipy
in action.
License
This is free software. See 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.