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AiiDA plugin for GOLLUM

images/AiiDA_transparent_logo.png
images/gollum_logo.png

Welcome to the AiiDA-Gollum documentation!

The aiida-gollum python package interfaces the GOLLUM transport code (http://www.physics.lancs.ac.uk/gollum) with the AiiDA framework (http://www.aiida.net). The package contains plugins for GOLLUM itself and basic workflows. It is distributed under the MIT license and available from (https://github.com/garsua/aiida-gollum/).

Acknowledgments:

The Gollum input plugin, parser, workflow and examples were developed by Victor M. Garcia-Suarez.

We acknowledge support from the Spanish MINECO (project FIS2015- 63918-R) and the EU Centre of Excellence “MaX – Materials Design at the Exascale” (http://www.max-centre.eu). (Horizon 2020 EINFRA-5, Grant No. 676598). We also thank the AiiDA team for their help.

Contents:

Installation

.. toctree::
   :maxdepth: 2

   installation

GOLLUM plugins

.. toctree::
   :maxdepth: 2

   plugins/gollum

GOLLUM Workflows

.. toctree::
   :maxdepth: 4

   workflows/gollum-siesta

Indices and tables

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