bobleesj / cifkit

High-throughput .cif analysis made easy. Visit: https://bobleesj.github.io/cifkit/

Home Page:https://bobleesj.github.io/cifkit/

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Prepare JOSS manuscript

bobleesj opened this issue · comments

JOSS requirements from the website:

  • 250 to 1,000 words
  • The software must have an obvious research application
  • Not less than three months of work for an individual.
  • Whether the software has already been cited in academic papers.
  • Your paper must not focus on new research results accomplished with the software.
  • Whether the software is sufficiently useful that it is likely to be cited by your peer group.
  • Your paper (paper.md and BibTeX files, plus any figures) must be hosted in a Git-based repository together with your software.
  • Include in the paper some sentences that explain the software functionality and domain of use to a non-specialist reader.

Specifics to cifkit:

  • Add architecture diagram of the software
  • Add histograms, add polyhedron images
  • Discuss 4 coordination geometry methods
  • Discuss atomic mixing categorization
  • Discuss preprocessing step
  • Discuss performance vs. supercell size
  • Discuss unique values & problems addressed
  • Feature software that currently uses cifkit

Reference:

TBA

Potential name for the paper:

  • cifkit: Python package for CIF high-throughput analysis