The RASPA plugin for the AiiDA workflow and provenance engine. http://www.aiida.net
Switch branches/tags
Nothing to show
Clone or download

README.md

AiiDA RASPA2 plugin

aiida-raspa allows you to run calculations with the RASPA2 code using AiiDA.

Installation

$ git clone https://github.com/yakutovicha/aiida-raspa
$ cd aiida-raspa
$ pip install -e .  # also installs aiida, if missing (but not postgres)
$ reentry scan -r aiida