Home

Welcome to the AaronJr wiki! This is still a work in progress, and we thank you for your patience.

Installation instructions

Use of template structures

Queue adapters and executable templates

Configuration options

Job types

Default configuration (system-wide and user-specific)

Configuration examples: How to build workflows for structure optimization other types of computations

Interacting with FireWorks: A brief overview of useful command line tools for interacting with the FireWorks database.

https://github.com/QChASM/AaronTools.py/wiki/AaronTools-Libraries(The substituent and ligand libraries)

https://github.com/QChASM/AaronTools.py/wiki/Adding-Structures-to-your-AaronTools-Library(Adding to the AaronTools libraries)