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@epretti epretti commented Mar 21, 2025

To fix #369. Also remove _gaff_parameters_loaded which was unused and does not appear anywhere else. Enable GAFF tests again on --rungaff.

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Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 71.41%. Comparing base (e6e6248) to head (62c6f0e).

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Additional details and impacted files
@@            Coverage Diff             @@
##             main     #371      +/-   ##
==========================================
+ Coverage   69.75%   71.41%   +1.65%     
==========================================
  Files           5        5              
  Lines         830      822       -8     
==========================================
+ Hits          579      587       +8     
+ Misses        251      235      -16     

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@epretti epretti marked this pull request as ready for review March 21, 2025 17:30
@epretti epretti requested a review from mattwthompson March 21, 2025 21:07
@epretti epretti merged commit d5022d7 into openmm:main Mar 24, 2025
13 checks passed
@epretti epretti deleted the fix-multiple-registration branch August 6, 2025 23:25
@mattwthompson mattwthompson mentioned this pull request Aug 7, 2025
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Can't reuse GAFFTemplateGenerator for more than one force field

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