CITATION.cff

cff-version: 1.2.0
title: aMOF
message: "If you use this software, please cite it as below (WARNING: temporary version awaiting article publication)."
type: software
authors:
  - given-names: Nicolas
    family-names: Castel
repository-code: "https://github.com/coudertlab/amof"
url: "https://github.com/coudertlab/amof"
license: MIT
version: 1.0.0
identifiers:
  - type: url
    value: "https://doi.org/10.1021/acs.jpcc.2c06305"
    description: The JPCC article.
preferred-citation:
  type: article
  authors:
    - given-names: Nicolas
      family-names: Castel
      affiliation: Chimie ParisTech - PSL & École des Ponts ParisTech 
      orcid: "https://orcid.org/0000-0002-0572-3940"
    - given-names: François-Xavier
      family-names: Coudert
      affiliation: Chimie ParisTech - PSL
      orcid: "https://orcid.org/0000-0001-5318-3910"
  title: "Challenges in Molecular Dynamics of Amorphous ZIFs using Reactive Force Fields"
  year: 2022
  doi: "10.1021/acs.jpcc.2c06305"