From 9f9e78d490df5fe6bfcd991cf9e50bc83471ee17 Mon Sep 17 00:00:00 2001
From: Lester Hedges <lester.hedges@gmail.com>
Date: Thu, 10 Oct 2024 14:50:21 +0100
Subject: [PATCH] Add citation file. [ci skip]

---
 CITATION.cff | 23 +++++++++++++++++++++++
 1 file changed, 23 insertions(+)
 create mode 100644 CITATION.cff

diff --git a/CITATION.cff b/CITATION.cff
new file mode 100644
index 0000000..d5bd702
--- /dev/null
+++ b/CITATION.cff
@@ -0,0 +1,23 @@
+cff-version: 1.2.0
+message: "If you use this software, please cite it as below."
+authors:
+- family-names: Hedges
+  given-names: Lester
+  orcid: "https://orcid.org/0000-0002-5624-0500"
+- family-names: Zinovjev
+  given-names: Kirill
+  orcid: "https://orcid.org/0000-0003-1052-5698"
+- family-names: Woods
+  given-names: Christopher
+  orcid: "https://orcid.org/0000-0001-6563-9903"
+- family-names: Tuñón
+  given-names: Iñaki
+  orcid: "https://orcid.org/0000-0002-6995-1838"
+- family-names: van der Kamp
+  given-names: Marc
+  orcid: "https://orcid.org/0000-0002-8060-3359"
+title: "emle-engine"
+version: 1.0.0
+date-released: 2024-10-10
+url: "https://github.com/chemle/emle-engine"
+repository-code: "https://github.com/chemle/emle-engine"