Fix numerical cancellation in RectLattice::distance for large pitch values#3853
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MatteoZammataro wants to merge 3 commits intoopenmc-dev:developfrom
Open
Fix numerical cancellation in RectLattice::distance for large pitch values#3853MatteoZammataro wants to merge 3 commits intoopenmc-dev:developfrom
MatteoZammataro wants to merge 3 commits intoopenmc-dev:developfrom
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Changed the boundary-crossing detection logic to avoid cancellation issues.
MatteoZammataro
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This problem is very similar to #3792. |
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This PR fixes a segmentation fault in RectLattice::distance that was triggered by large lattice pitch values (see #3852). This bug occurred due to floating-point cancellation in the boundary-crossing detection logic.
As a simple fix, I suggest computing each axis distance (dx, dy, dz) independently and updating lattice_trans as the minimum is determined. This should eliminate the risk of floating-point cancellation.
Credits to @MatteoF29 for the help.
Checklist
I have followed the style guidelines for Python source files (if applicable)I have made corresponding changes to the documentation (if applicable)I have added tests that prove my fix is effective or that my feature works (if applicable)