Introduction

hoomd_flowws is an in-development set of modules to create reusable scientific workflows using hoomd-blue. While the python API of hoomd-blue holds enormous possibility for scriptability (including making projects like this possible in the first place), this flexibility can also lead to poorly-structured, rigid script workflows if not carefully managed. The aim of this project is to formulate a set of robust, modular individual components that can be composed to perform most common workflows.

hoomd-flowws is being developed in conjunction with flowws.

Installation

Install hoomd_flowws from PyPI:

pip install hoomd_flowws

Alternatively, install from source:

pip install git+https://github.com/klarh/hoomd_flowws.git#egg=hoomd_flowws

Documentation

Browse more detailed documentation online or build the sphinx documentation from source:

git clone https://github.com/klarh/hoomd_flowws
cd hoomd_flowws/doc
pip install -r requirements.txt
make html