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).

_images/vulcan_flow.png

Flowchart of the Vulcan code.

Note

This project is under active development.

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