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michellab / FreeEnergyNetworkAnalysis

Software for automated processing of alchemical free energy calculations
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Citing (and license) #25

Closed JenkeScheen closed 2 years ago

JenkeScheen commented 2 years ago

Added a CITATION.cff which makes the repo citable, see https://citation-file-format.github.io/.

Given the file setup currently, exporting the bibtex gives: @software{Mey_FreeEnergyNetworkAnalysis, author = {Mey, Antonia and Tosco, Paolo and Jenke, Scheen and Michel, Julien}, license = {CC-BY-SA-2.0}, title = {{FreeEnergyNetworkAnalysis}}, url = {https://github.com/michellab/freenrgworkflows/tree/devel} }

and the reference (RSC styling template) gives: image .. neat!

Also added a license entry in readme.md (links to CC-BY-SA).

jmichel80 commented 2 years ago

Consider adding Mark Mackey as co-author (we are currently using his original weighted least squares implementation)

ppxasjsm commented 2 years ago

Sounds good!

On 8 Apr 2022, at 14:40, Julien Michel @.**@.>> wrote:

Mark Mackey

Dr. Antonia Mey (she/her) Chancellor’s Fellow

If I send an email out-of-hours, I am doing so because it is convenient for me. Please respond at a time that is convenient for you.

Post: Room 214, School of Chemistry | David Brewster Road | University of Edinburgh | Edinburgh EH9 3FJ Tel: +44 131 651 3309 or via Teams | Email: @.**@.> | Web: mey-research.orghttp://mey-research.org

The University of Edinburgh is a charitable body, registered in Scotland, with registration number SC005336. Is e buidheann carthannais a th’ ann an Oilthigh Dhùn Èideann, clàraichte an Alba, àireamh clàraidh SC005336.