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Fix/pmftxyz eq ors normalization #619
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Codecov Report
@@ Coverage Diff @@
## master #619 +/- ##
==========================================
+ Coverage 92.78% 92.87% +0.09%
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Files 16 16
Lines 2189 2189
Branches 32 32
==========================================
+ Hits 2031 2033 +2
+ Misses 146 144 -2
Partials 12 12
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I'd like to have some discussion on #619 before we accept this solution.
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LGTM, unless there's further discussion on #616.
Description
Store and use the last number of equivalent orientations to normalize the PMFT. This PR should be merged after #615 and only following discussion regarding whether this solution is appropriate on #616.
Motivation and Context
Resolves: #616.
How Has This Been Tested?
Updated existing test to include checking the behavior when multiple equivalent quaternions are specified.
Screenshots
Types of changes
Checklist: