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ralf-meyerralf-meyer
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Merge pull request #126 from hjkgrp/test_rmsd
Add tests for rigorous_rmsd function
2 parents 65b2d70 + 9aa42f9 commit a087b63

8 files changed

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‎tests/inputs/rmsd/BUWGOQ.xyz

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‎tests/inputs/rmsd/BUWGOQ_final.xyz

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‎tests/inputs/rmsd/BUWGOQ_final_reordered.xyz

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‎tests/inputs/rmsd/BUWGOQ_noH.xyz

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‎tests/inputs/rmsd/BUWGOQ_noH_final.xyz

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‎tests/inputs/rmsd/example_1.xyz

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‎tests/inputs/rmsd/example_1_noff.xyz

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