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Release version 1.0.3
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@f3rmion f3rmion released this 19 Feb 10:20
· 64 commits to master since this release
v1.0.3
b30a33d

Maintenance and bugfix release.
Thanks to @awvwgk

  • Bugfix: remove hardcoded constraint in writeTransitionMetalConstrains (a1fed6b)🐞

  • Bugfix: Fix broken link in CONTRIBUTING.md (9d754e5) 🐞

  • Refactor: move large parts of kallisto to its own directory (4a2df26)

  • Improved unit test coverage for atom (d2368c5)

  • Improved unit test coverage for molecule (3aa9f97)

  • Improved unit test coverage for xyz (9789090)

  • Improved unit test coverage for turbomole (105ac9a)

  • Improved unit test coverage for strucreader (ff5c2a3)

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