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Ensure CITATION.cff references gromacs correctly#250

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harryswift01 merged 2 commits intomasterfrom
249-general-update-citationcff
Jan 21, 2026
Merged

Ensure CITATION.cff references gromacs correctly#250
harryswift01 merged 2 commits intomasterfrom
249-general-update-citationcff

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Summary

This PR aims to replace all references of aiida-amber back to aiida-gromacs which will properly reflect the package and avoid any confusion down the line.

Changes

Changes within CITATION.cff

  • Changed all references of aiida-amber to aiida-gromacs

Impact

  • This will ensure the citation of this package contains the correct references and links and will improve the provenance and citability of the package.

@harryswift01 harryswift01 self-assigned this Jan 21, 2026
@harryswift01 harryswift01 linked an issue Jan 21, 2026 that may be closed by this pull request
@harryswift01 harryswift01 changed the title update CITATION.cff to ensure it references gromacs Ensure `CITATION.cff references gromacs correctly Jan 21, 2026
@harryswift01 harryswift01 changed the title Ensure `CITATION.cff references gromacs correctly Ensure CITATION.cff references gromacs correctly Jan 21, 2026
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coveralls commented Jan 21, 2026

Pull Request Test Coverage Report for Build 21219054829

Details

  • 0 of 0 changed or added relevant lines in 0 files are covered.
  • No unchanged relevant lines lost coverage.
  • Overall coverage remained the same at 84.064%

Totals Coverage Status
Change from base Build 21218292126: 0.0%
Covered Lines: 1688
Relevant Lines: 2008

💛 - Coveralls

@harryswift01 harryswift01 merged commit f50307c into master Jan 21, 2026
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@harryswift01 harryswift01 deleted the 249-general-update-citationcff branch January 21, 2026 17:31
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[General]: Update CITATION.cff to say Gromacs

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