AiiDA VASP Plugin Introduction

The AiiDA VASP Plugin aims to provide a full support for running VASP calculations using the AiiDA package.

The User Interface is based heavily on the VASP support already provided by the Materials Project through pymatgen. Main reasons for this are:

  • to support a standard VASP interface across different high-throughput frameworks.
  • to avoid code duplication and utilize the mature and well supported pymatgen code base.
The philosophy behind this plugin can be summarised as follows:
Take a well defined VASP input and return parsed data in a form the User has specified - no more, no less.

In order to facilitate the latter, we have implemented Parser Instructions, a simple way to customize and extend the parsing capabilities of the output parser.