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Citation

Cite the openWFN version you used. The example below is for version 0.13.0, dated October 12, 2026. For a source checkout, record the commit as well. Keep input checksums with your results.

Cite the software release

Use the exact release that produced your results. The repository CITATION.cff is the machine-readable source for the software citation.

Plain text:

Muhammed Shah Shaji (2026). openWFN: Wavefunction post-processing analysis toolkit (Version 0.13.0) [Computer software]. https://github.com/sha786muhammed/openWFN/releases/tag/v0.13.0

BibTeX:

@software{shaji_openwfn_2026,
  author  = {Muhammed Shah Shaji},
  title   = {openWFN: Wavefunction post-processing analysis toolkit},
  year    = {2026},
  version = {0.13.0},
  url     = {https://github.com/sha786muhammed/openWFN/releases/tag/v0.13.0},
  license = {MIT}
}

Record the calculation context

A software citation alone is not enough to reproduce an analysis. Preserve:

  • the exact openWFN version;
  • the input SHA-256 checksum;
  • the source program and its version when known;
  • method, basis, charge, and multiplicity;
  • the analysis command and relevant numerical controls;
  • machine-readable results, units, warnings, and validation status.

Software citation

Use the release citation above. A paper citation requires verified metadata from an archival deposit or publication. Contributions are recorded in the repository history and CONTRIBUTORS.md. Repository contribution does not determine authorship of a paper.