From 78185eff1550ffe295c5827e4b100211b6500d00 Mon Sep 17 00:00:00 2001
From: "Lori A. Burns" <lori.burns@gmail.com>
Date: Wed, 31 Jul 2024 21:30:17 -0400
Subject: [PATCH 1/2] Add files via upload

---
 CITATION (1).cff | 45 +++++++++++++++++++++++++++++++++++++++++++++
 1 file changed, 45 insertions(+)
 create mode 100644 CITATION (1).cff

diff --git a/CITATION (1).cff b/CITATION (1).cff
new file mode 100644
index 0000000..51eaf2c
--- /dev/null
+++ b/CITATION (1).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:
+  - orcid: 'https://orcid.org/0000-0002-0871-664X'
+    affiliation: >-
+      Chemistry Department, King Fahd University of
+      Petroleum and Minerals
+    given-names: Asem
+    family-names: Alenaizan
+  - 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'

From bdfdce2ec895ef17478767cd5318f6d566365c89 Mon Sep 17 00:00:00 2001
From: "Lori A. Burns" <lori.burns@gmail.com>
Date: Wed, 31 Jul 2024 21:32:22 -0400
Subject: [PATCH 2/2] Update and rename CITATION (1).cff to CITATION.cff

---
 CITATION (1).cff => CITATION.cff | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)
 rename CITATION (1).cff => CITATION.cff (94%)

diff --git a/CITATION (1).cff b/CITATION.cff
similarity index 94%
rename from CITATION (1).cff
rename to CITATION.cff
index 51eaf2c..5ab0123 100644
--- a/CITATION (1).cff	
+++ b/CITATION.cff
@@ -8,12 +8,12 @@ message: >-
   integration
 type: software
 authors:
-  - orcid: 'https://orcid.org/0000-0002-0871-664X'
+  - given-names: Asem
+    family-names: Alenaizan
     affiliation: >-
       Chemistry Department, King Fahd University of
       Petroleum and Minerals
-    given-names: Asem
-    family-names: Alenaizan
+    orcid: 'https://orcid.org/0000-0002-0871-664X'
   - given-names: Lori A
     family-names: Burns
     affiliation: >-