TOPPRA Optionally Relax Constraints to Handle Numerically-Challenging Trajectories - #24798
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TOPPRA Optionally Relax Constraints to Handle Numerically-Challenging Trajectories#24798cohnt wants to merge 1 commit into
cohnt wants to merge 1 commit into
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…ing trajectories.
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Maybe we can also close #21381? |
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There have been long-running issues with TOPPRA being numerically brittle, and it has been causing a lot of problems lately for @sageshoyu and myself. This PR allows the user to relax the constraints if they have one of these brittle trajectories.
Closes #20619. I verified using a relaxation of 1e-5 fixes it.
+assignee:@sageshoyu for feature review
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