Update smarts string for opls_154 #450
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Codecov Report
@@ Coverage Diff @@
## master #450 +/- ##
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Coverage 73.88% 73.88%
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Files 17 17
Lines 1842 1842
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Hits 1361 1361
Misses 481 481 |
justinGilmer
approved these changes
Aug 12, 2021
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PR Summary:
Update definition of
opls_154inoplsaa.xml, raised by #438. Tests were updated accordingly.PR Checklist