CatFlow: Catalysis WorkFlow

Table of Contents

CatFlow is a staging ground for workflows which may be useful to a more general user base. Currently, these modules are specific in many ways to the SUNCAT groups facilities.


1 Dependencies

This module is optional to the installation of CatKit and as such, the dependencies are not included in the main requirements file.

If you'd like to use this module, the required dependences are: ASE-espresso msgpack

Additionally, many of the standard scripts provided in the examples require integration with the Fireworks workflow architecture.

Author: Jacob Boes

Created: 2018-06-01 Fri 01:51