There are several atomic, molecular and optical physics computer codes. Knowing which one to use for what and how is a challenge. Andrew Brown surveys the available software packages and discusses how code development practices in academia could be improved.
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20 February 2020
A Correction to this paper has been published: https://doi.org/10.1038/s42254-020-0161-0
References
Schneider, B. & Gharibnejad, G. Numerical methods every atomic and molecular theorist should know. Nat. Rev. Phys. (2019).
Zatsarinny, O. BSR: B-spline atomic R-matrix codes. Comput. Phys. Commun. 174, 273 (2006).
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RELATED LINKS
AMP gateway project: https://ampgateway.org
Belfast parallel R-matrix codes: http://connorb.freeshell.org
bitbucket: https://bitbucket.org/
git: https://git-scm.com/
github: https://github.com/
gitlab: https://about.gitlab.com/
Jena Atomic Calculator: https://github.com/OpenJAC/JAC.jl
Mercurial: https://www.mercurial-scm.org/
SVN: https://subversion.apache.org/
UK-AMOR code repository: https://gitlab.com/uk-amor/
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Brown, A. What’s next for atomic and molecular physics software?. Nat Rev Phys 2, 68–69 (2020). https://doi.org/10.1038/s42254-019-0139-y
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DOI: https://doi.org/10.1038/s42254-019-0139-y
