The aiida-raspa plugin for AiiDA¶
aiida-raspa is available at http://github.com/yakutovicha/aiida-raspa
If you use this plugin for your research, please cite the following work:
Daniele Ongari, Aliksandr V. Yakutovich, Leopold Talirz, and Berend Smit, Building a Consistent and Reproducible Database for Adsorption Evaluation in Covalent–Organic Frameworks, ACS Cent. Sci. 2019, 5, 10, 1663-1675 (2019); https://doi.org/10.1021/acscentsci.9b00619.
If you use AiiDA for your research, please cite the following work:
Giovanni Pizzi, Andrea Cepellotti, Riccardo Sabatini, Nicola Marzari, and Boris Kozinsky, AiiDA: automated interactive infrastructure and database for computational science, Comp. Mat. Sci 111, 218-230 (2016); https://doi.org/10.1016/j.commatsci.2015.09.013; http://www.aiida.net.
aiida-raspa is released under the MIT license.