Skip to content

Orchestration for calculating election repulsion integrals in the cloud

License

Notifications You must be signed in to change notification settings

UBC-CIC/electron-repulsion

Folders and files

NameName
Last commit message
Last commit date

Latest commit

 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 

Repository files navigation

electron-repulsion

Orchestration for calculating electron repulsion integrals in the cloud

Index Description
High Level Architecture Architecture of the system
Deployment How to deploy the system
User Guide Running and managing jobs
Changelog Any changes post publish
License License details

High Level Architecture

The overall cloud architecture can be summarized as follows.

Architecture1

The next image shows the step function workflow that orchestrates the calculations. For an in-depth explanation of the architecture, refer to the Architecture Deep Dive.

Architecture2

Deployment

To deploy this solution, please follow our Deployment Guide.

User Guide

For instructions about using the solution, visit the User Guide.

Changelog

N/A

License

This project is distributed under the MIT License.