add citation.cff

citation.cff

@@ -0,0 +1,32 @@
+# cff-version: 1.2.0
+message: If you use MatCalc, please cite it as follows.
+title: MatCalc
+subtitle: A Python library for calculating materials properties
+authors:
+  - given-names: Janosh
+    family-names: Riebesell
+    affiliation: University of Cambridge, Lawrence Berkeley National Laboratory
+    orcid: https://orcid.org/0000-0001-5233-3462
+    github: https://github.com/janosh
+  - given-names: Elliott
+    family-names: Liu
+    email: [email protected]
+    github: https://github.com/PROA200
+  - given-names: Ji
+    family-names: Qi
+    github: https://github.com/JiQi535
+  - given-names: Tsz Wai
+    family-names: Ko
+    github: https://github.com/kenko911
+    orcid: https://orcid.org/0000-0002-0802-9559
+  - given-names: Shyue Ping
+    family-names: Ong
+    orcid: https://orcid.org/0000-0001-5726-2587
+    github: https://github.com/shyuep
+license: BSD-3-Clause
+license-url: https://github.com/materialsvirtuallab/matcalc/blob/-/LICENSE"
+repository-code: https://github.com/materialsvirtuallab/matcalc
+type: software
+url: https://github.com/materialsvirtuallab/matcalc
+version: 0.0.3 # replace with whatever version you use
+date-released: "2023-07-24"