What’s next for atomic and molecular physics software?

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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Fig. 1: The typical anatomy of an academic code development project.

Change history

  • 20 February 2020

    An amendment to this paper has been published and can be accessed via a link at the top of the paper.

References

  1. 1.

    Schneider, B. & Gharibnejad, G. Numerical methods every atomic and molecular theorist should know. Nat. Rev. Phys. (2019).

  2. 2.

    Zatsarinny, O. BSR: B-spline atomic R-matrix codes. Comput. Phys. Commun. 174, 273 (2006).

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Correspondence to Andrew Brown.

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The author declares no competing interest.

Additional information

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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