From 78dc0c71bd7221d1a99b3e07716d77ca16b28cb4 Mon Sep 17 00:00:00 2001 From: "Lori A. Burns" Date: Wed, 31 Jul 2024 21:36:45 -0400 Subject: [PATCH] add citation file (#35) * Add files via upload * Update and rename CITATION (1).cff to CITATION.cff --- CITATION.cff | 45 +++++++++++++++++++++++++++++++++++++++++++++ 1 file changed, 45 insertions(+) create mode 100644 CITATION.cff diff --git a/CITATION.cff b/CITATION.cff new file mode 100644 index 0000000..5ab0123 --- /dev/null +++ b/CITATION.cff @@ -0,0 +1,45 @@ +# This CITATION.cff file was generated with cffinit. +# Visit https://bit.ly/cffinit to generate yours today! + +cff-version: 1.2.0 +title: QCManyBody +message: >- + Intermolecular many-body expansion with QCArchive + integration +type: software +authors: + - given-names: Asem + family-names: Alenaizan + affiliation: >- + Chemistry Department, King Fahd University of + Petroleum and Minerals + orcid: 'https://orcid.org/0000-0002-0871-664X' + - given-names: Lori A + family-names: Burns + affiliation: >- + Center for Computational Molecular Science and + Technology, Georgia Institute of Technology + orcid: 'https://orcid.org/0000-0003-2852-5864' + - given-names: Benjamin P. + family-names: Pritchard + affiliation: The Molecular Sciences Software Institute + orcid: 'https://orcid.org/0000-0003-2136-0606' + - given-names: Daniel G. A. + family-names: Smith + affiliation: The Molecular Sciences Software Institute + orcid: 'https://orcid.org/0000-0001-8626-0900' +identifiers: + - type: url + value: 'https://github.com/MolSSI/QCManyBody' + description: Software Repository +repository-code: 'https://github.com/MolSSI/QCManyBody' +url: 'https://molssi.github.io/QCManyBody/' +repository-artifact: 'https://anaconda.org/conda-forge/qcmanybody/files' +keywords: + - quantum-chemistry + - many-body-expansion + - mbe + - schema +license: BSD-3-Clause +version: 0.3.0 +date-released: '2024-07-21'