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@@ Coverage Diff @@
## master #164 +/- ##
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- Coverage 53.51% 51.81% -1.71%
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Files 7 7
Lines 1478 1540 +62
Branches 266 273 +7
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+ Hits 791 798 +7
- Misses 587 642 +55
Partials 100 100
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This was referenced Jul 9, 2022
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@davidlmobley This one should be merge since this is directly relates to what @megosato will be working on. This introduces RandomRotatableBondMove and RandomRotatableBondFlipMove—new Move subclasses enabling targeted torsion rotations of ligand bonds. These expand the move library to include precise dihedral sampling. |
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Description
Have rotatable bond moves available in the latest BLUES code
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