Code

Added rings test functions#570

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avcopan merged 5 commits intoAuto-Mech:devAuto-Mech/autochem:devfrom andrydella:devandrydella/autochem:devCopy head branch name to clipboardSep 6, 2024

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Commits on Sep 5, 2024

• Added tests for new functions in geom/_ring.py

  

  Andrea Della Libera

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  andrydella

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• Added xyz traj file in data for test_rings

  

  Andrea Della Libera

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  andrydella

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• Updated ring tests with new tolerance and correct path for data

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• Using GEO4 instead of GEO1 in cremerpople test

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• Fixed test on atoms displacements

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