Welcome to Vulcan’s documentation!
Vulcan is a Python code to make life easier when working with VASP. It optimized all steps in the calculation process, from creating the structure to be studied to making a backup of the results on a SQL database. It was developed to work exclusively on VASP (for now) and in a remote supercomputer cluster with a queue system, and makes heavy use of the Atomic Simulation Environment (ASE).
This project is under active development.
- Configuration - vulcan.py
- Configuration - vulcan.sh
- Automated backup
- Useful scripts
- Types of calculations