MoleQueue  0.8.0
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MoleQueue API Documentation

Introduction

The MoleQueue project is developed to support execution of command line executables, such as computational chemistry and simulation codes, both locally and remotely interacting with batch schedulers. These are provided as liberally BSD-licensed, open-source reuable components and an extensible system tray resident Qt application.

Main Classes

The main bulk of the MoleQueue code implements a system tray resident Qt 4 application. If you are interested in extending MoleQueue to support new queue types, transports and/or authentication mechanisms these classes will be of most interest. For applications looking to use the local socket JSON-RPC 2.0 based API the client library will be of most interest.

Resources

This project is developed as part of the Open Chemistry project. Please see the development guide if you would like to contribute to the project. Some key resources include: