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Thanks @AlexB67 , sorry for completely missing this PR! I am really swamped right now, but I'll have a look as soon as I can. |
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Done, sorry it's branch dihedral-issue, not issue-52. My bad. I added two test geometries ethane1 and ethane2. I added the test case to irc_test.cpp, there is a new test number 10 at the end. That's all.