perconet 0.4.3

Overview

The perconet package provides tools to analyze the percolation properties of periodic nets or networks. The terminology to describe such systems varies between fields (see the sections for mathematicians and for chemists in the documentation).

Periodic networks arise often in simulations of chemical or physical systems with periodic boundary conditions. Since periodic nets have no actual boundaries, the question whether they percolate must be interpreted as does the structure wrap around the periodic boundary?

perconet implements a loop finder algorithm that reports the number of independent ways in which the structure wraps around the boundary.

Installation

perconet can be installed in any Python environment (version 3.8 or higher) using pip install perconet. See https://pypi.org/project/perconet/ for package details.

Documentation

Documentation is generated using Sphinx and hosted on ReadTheDocs.

Release Status

This is a development release that has been extensively tested in a few contexts but we cannot guarantee it will work as you will expect. If you get unexpected results and suspect you found a bug, please open an issue on github.

Credits and License

Perconet was written by Chiara Raffaelli and Wouter G. Ellenbroek. Issue reports and contributions are welcome through our GitHub repository

We share perconet under the European Union Public License. See LICENSE file for details.