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CITATION.cff
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cff-version: 1.2.0
message: "If you use cuGBasis, please cite it as below."
authors:
- family-names: "Tehrani"
given-names: "Alireza"
orcid: "https://orcid.org/0000-0003-1308-8614"
- family-names: "Richer"
given-names: "Michelle"
orcid: "https://orcid.org/0009-0001-2563-4603"
- family-names: "Heidar-Zadeh"
given-names: "Farnaz"
orcid: "https://orcid.org/0000-0002-2069-050X"
title: "CuGBasis: High-performance CUDA/Python library for efficient computation of quantum chemistry density-based descriptors for larger systems"
version: 1.0.1
date-released: 2024-10-25
url: "https://github.com/theochem/cuGBasis"
preferred-citation:
type: article
authors:
- family-names: "Tehrani"
given-names: "Alireza"
orcid: "https://orcid.org/0000-0003-1308-8614"
- family-names: "Richer"
given-names: "Michelle"
orcid: "https://orcid.org/0009-0001-2563-4603"
- family-names: "Heidar-Zadeh"
given-names: "Farnaz"
orcid: "https://orcid.org/0000-0002-2069-050X"
doi: "10.1063/5.0216781"
journal: "The Journal of Chemical Physics"
month: 8
pages: 072501
title: "CuGBasis: High-performance CUDA/Python library for efficient computation of quantum chemistry density-based descriptors for larger systems"
issue: 7
volume: 161
year: 2024