temp_README.md

{{project.name}}

A format plugin for GenIce2 to detect cages.

version {{version}}

Requirements

{% for item in tool.poetry.dependencies %}* {{item}}{{tool.poetry.dependencies[item]}} {% endfor %}

Installation from PyPI

% pip install {{project.name}}

Usage

{%- filter indent %} {{usage}} {%- endfilter %}

Test in place

% make test

Algorithms

• M. Matsumoto, A. Baba, and I. Ohmine, Topological building blocks of hydrogen bond network in water, J. Chem. Phys. 127, 134504 (2007); doi:10.1063/1.2772627