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Add CITATION.cff file for easier repo citation (#498)
* Add CITATION.cff file for easier repo citation GitHub has added native support of the CITATION.cff file format, which provides a nice way to generate a citation for a software repository. This adds in a basic citation.cff file, which can be updated as necessary. * Include foyer reference and clean up names * Update preferred citation and message. * update format * fix schema issue Co-authored-by: Co Quach <daico007@gmail.com>
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# This CITATION.cff file was generated with cffinit. | ||
# Visit https://bit.ly/cffinit to generate yours today! | ||
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cff-version: 1.2.0 | ||
title: >- | ||
Foyer: A package for atom-typing as well as | ||
applying and disseminating forcefields | ||
message: >- | ||
If you use this software, please cite it using the | ||
metadata from this file and the preferred citation. | ||
type: software | ||
authors: | ||
- given-names: Christoph | ||
family-names: Klein | ||
affiliation: "Vanderbilt University" | ||
- given-names: "Andrew Z." | ||
family-names: Summers | ||
affiliation: "Vanderbilt University" | ||
orcid: 'https://orcid.org/0000-0001-8477-3059' | ||
- given-names: "Matthew W." | ||
family-names: Thompson | ||
affiliation: "Vanderbilt University" | ||
orcid: 'https://orcid.org/0000-0002-1460-3983' | ||
- given-names: "Justin B." | ||
family-names: Gilmer | ||
affiliation: "Vanderbilt University" | ||
orcid: 'https://orcid.org/0000-0002-6915-5591' | ||
- given-names: "Co D." | ||
family-names: Quach | ||
affiliation: "Vanderbilt University" | ||
orcid: 'https://orcid.org/0000-0002-1255-4161' | ||
- given-names: Umesh | ||
family-names: Timalsina | ||
affiliation: "Vanderbilt University" | ||
orcid: 'https://orcid.org/0000-0002-5430-3993' | ||
- given-names: Peter | ||
family-names: Volgyesi | ||
orcid: 'https://orcid.org/0000-0002-7478-4317' | ||
affiliation: "Vanderbilt University" | ||
- given-names: Janos | ||
family-names: Sallai | ||
affiliation: "Vanderbilt University" | ||
- given-names: "Chris R." | ||
family-names: Iacovella | ||
affiliation: "Vanderbilt University" | ||
orcid: 'https://orcid.org/0000-0003-0557-0427' | ||
- given-names: Clare | ||
family-names: McCabe | ||
affiliation: "Vanderbilt University" | ||
orcid: 'https://orcid.org/0000-0002-8552-9135' | ||
- given-names: "Peter T." | ||
family-names: Cummings | ||
affiliation: "Vanderbilt University" | ||
orcid: 'https://orcid.org/0000-0002-9766-2216' | ||
identifiers: | ||
- type: doi | ||
value: 10.5281/zenodo.6229092 | ||
description: Zenodo Doi | ||
repository-code: 'https://github.com/mosdef-hub/foyer' | ||
url: 'https://foyer.mosdef.org' | ||
repository: 'https://github.com/mosdef-hub/foyer' | ||
repository-artifact: 'https://github.com/mosdef-hub/foyer/releases' | ||
abstract: >- | ||
Foyer is an open-source Python tool for defining | ||
and applying force field atom-typing rules in a | ||
format that is both human- and machine-readable. It | ||
parametrizes chemical topologies, generating, | ||
syntactically correct input files for various | ||
simulation engines. Foyer provides a framework for | ||
force field dissemination, helping to eliminate | ||
ambiguity in atom-typing and improving | ||
reproducibility. | ||
keywords: | ||
- atom-typing | ||
- reproducibility | ||
- 'TRUE' | ||
- mosdef | ||
- python | ||
license: MIT | ||
preferred-citation: | ||
type: article | ||
authors: | ||
- given-names: Christoph | ||
family-names: Klein | ||
affiliation: "Vanderbilt University" | ||
- given-names: "Andrew Z." | ||
family-names: Summers | ||
affiliation: "Vanderbilt University" | ||
orcid: 'https://orcid.org/0000-0001-8477-3059' | ||
- given-names: "Matthew W." | ||
family-names: Thompson | ||
affiliation: "Vanderbilt University" | ||
orcid: 'https://orcid.org/0000-0002-1460-3983' | ||
- given-names: "Justin B." | ||
family-names: Gilmer | ||
affiliation: "Vanderbilt University" | ||
orcid: 'https://orcid.org/0000-0002-6915-5591' | ||
- given-names: Clare | ||
family-names: McCabe | ||
affiliation: "Vanderbilt University" | ||
orcid: 'https://orcid.org/0000-0002-8552-9135' | ||
- given-names: "Peter T." | ||
family-names: Cummings | ||
affiliation: "Vanderbilt University" | ||
orcid: 'https://orcid.org/0000-0002-9766-2216' | ||
- given-names: Janos | ||
family-names: Sallai | ||
affiliation: "Vanderbilt University" | ||
- given-names: "Chris R." | ||
family-names: Iacovella | ||
affiliation: "Vanderbilt University" | ||
orcid: 'https://orcid.org/0000-0003-0557-0427' | ||
title: "Formalizing atom-typing and the dissemination of force fields with foyer" | ||
journal: "Comput. Mater. Sci." | ||
volume: "167" | ||
pages: "12" | ||
year: "2019" | ||
doi: "10.1016/j.commatsci.2019.05.026" |