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Releases: cclib/Cclib.jl

v0.4.0

21 Aug 20:01
c78635f
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  • Finished the integration with AtomsBase.jl. Now able to create systems and use them for calculations
  • Finished integration with Fermi.jl
  • Updated docs and QOL features

v0.3.0

11 Aug 02:15
284fbc0
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Cclib v0.3.0

Diff since v0.2.0

Closed issues:

  • Register package (#4)

Merged pull requests:

  • Dev/calculation methods (#17) (@vcanogil)
  • Dev/atomsbase integration (#18) (@vcanogil)
  • CompatHelper: add new compat entry for Unitful at version 1, (keep existing compat) (#20) (@github-actions[bot])
  • CompatHelper: add new compat entry for UnitfulAtomic at version 1, (keep existing compat) (#21) (@github-actions[bot])
  • CompatHelper: add new compat entry for AtomsBase at version 0.3, (keep existing compat) (#22) (@github-actions[bot])
  • Dev/doc_correction (#26) (@vcanogil)
  • update tagbot and version (#27) (@vcanogil)

v0.2.0

29 Jul 15:22
a14e987
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Cclib v0.2.0

Closed issues:

  • link to docs (#3)

Merged pull requests:

  • CompatHelper: add new compat entry for PyCall at version 1, (keep existing compat) (#1) (@github-actions[bot])
  • Dev/bindings (#6) (@vcanogil)
  • Dev/docs (#7) (@vcanogil)
  • CompatHelper: add new compat entry for PythonCall at version 0.9, (keep existing compat) (#8) (@github-actions[bot])
  • CompatHelper: add new compat entry for CondaPkg at version 0.2, (keep existing compat) (#9) (@github-actions[bot])
  • update CI versions to latest LTS (1.7) and release (1.9) (#10) (@berquist)
  • Dev/documentation (#12) (@vcanogil)
  • update tests, add error handling (#13) (@vcanogil)
  • Dev/version docs (#15) (@vcanogil)