ACE reaction: Generating Reaction Networks
******************************************

Note:

  This is an alpha release of AMS ACErxn. It is mostly feature
  complete, but some APIs might still change in the future. It might
  also contain some bugs. If you are interested in trying ACErxn, feel
  free to get in touch with us at support@scm.com. We are happy to get
  you started and appreciate all kinds of feedback on ACErxn.


Table of contents
^^^^^^^^^^^^^^^^^

* 1. ACErxn

  * 1.1. Python library for reaction network generation

  * 1.2. Simple example

* 2. General Output

  * 2.1. The ACErxn Network

  * 2.2. Standard Output

  * 2.3. Additional Files

  * 2.4. Geometry Optimization Output

* 3. Python Library

  * 3.1. Molecule information

  * 3.2. Settings ACErxn

  * 3.3. Settings AMS

  * 3.4. Setting up and Running the Job

  * 3.5. Components

* 4. Command Line Tool

  * 4.1. System information

  * 4.2. Settings information

  * 4.3. Engine information

  * 4.4. Summary

* 5. ACErxn Settings

  * 5.1. Common Keywords

  * 5.2. Summary of all keywords
