CITATION.cff

# YAML 1.2
# Metadata for citation of this software according to the CFF format (https://citation-file-format.github.io/)
cff-version: 1.2.0
message: If you use this software, please cite it as below.
title: nano-qmflows
abstract: Nano-QMFlows is a generic python library for computing (numerically) electronic properties for nanomaterials like the non-adiabatic coupling vectors (NACV) using several quantum chemical (QM) packages.
authors:
- given-names: Felipe
  family-names: Zapata
  orcid: "https://orcid.org/0000-0001-8286-677X"
- given-names: Bas
  family-names: van Beek
  orcid: "https://orcid.org/0000-0003-2463-6559"

keywords:
 - computational-chemistry
 - materials-science
 - python
 - Workflows
version: '0.14.2'
date-released: "2023-10-11"  # yyyy-mm-dd
repository-code: https://github.com/SCM-NV/nano-qmflows
license: "Apache-2.0"
doi: 10.5281/zenodo.2576893