added CITATION.cff

CITATION.cff

@@ -0,0 +1,21 @@
+# YAML 1.2
+# Metadata for citation of this software according to the CFF format (https://citation-file-format.github.io/)
+cff-version: 1.0.3
+message: If you use this software, please cite it as below.
+title: qmflows-namd
+authors:
+- given-names: Felipe
+  family-names: Zapata
+  orcid:  "https://orcid.org/0000-0001-8286-677X"
+- given-names: Ivan
+  family-names: Infante
+
+keywords:
+ - computational-chemistry
+ - materials-science
+ - python
+ - Workflows
+version: '0.8.2'
+date-released: 2020-02-10
+repository-code: https://github.com/SCM-NV/qmflows-namd
+license: "Apache-2.0"