CITATION.cff

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cff-version: 1.2.0
title: GEMDAT
message: >-
  If you use this software, please cite it using the
  metadata from this file.
type: software
authors:
  - given-names: Victor
    family-names: Azizi
    affiliation: Netherlands eScience Center
    orcid: 'https://orcid.org/0000-0003-3535-8320'
  - given-names: Stef
    family-names: Smeets
    affiliation: Netherlands eScience Center
    orcid: 'https://orcid.org/0000-0001-5107-3531'
  - given-names: Anastasia K.
    family-names: Lavrinenko
    affiliation: Delft University of Technology
    orcid: 'https://orcid.org/0000-0001-9863-8325'
  - given-names: Simone
    family-names: Ciarella
    affiliation: Netherlands eScience Center
    orcid: 'https://orcid.org/0000-0002-9247-139X'
  - given-names: Theodosios
    family-names: Famprikis
    affiliation: Delft University of Technology
    orcid: 'https://orcid.org/0000-0002-7946-1445'
  - given-names: Victor
    family-names: Landgraf
    affiliation: Delft University of Technology
    orcid: 'https://orcid.org/0000-0003-2169-6855'
  - given-names: Alexandros
    family-names: Vasileiadis
    affiliation: Delft University of Technology
    orcid: 'https://orcid.org/0000-0001-9761-7936'
repository-code: 'https://github.com/GEMDAT-repos/GEMDAT'
url: 'https://gemdat.readthedocs.io'
abstract: >-
  Python toolkit for molecular dynamics analysis diffusion in crystals
keywords:
  - analysis
  - diffusion
  - molecular dynamics
  - batteries
identifiers:
  - type: doi
    value: 10.5281/zenodo.8401669
license: Apache-2.0
version: 1.5.0