This change fixes a bug that occurs if you use KDE with CONTACT_MAP as the input variables. - #1441
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gtribello wants to merge 3 commits into
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This change fixes a bug that occurs if you use KDE with CONTACT_MAP as the input variables.#1441gtribello wants to merge 3 commits into
gtribello wants to merge 3 commits into
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…bers of kernels in different frames. This bug can occur if you construct a histogram from the vectors connecting atoms that are within the first coordination sphere of each other. The number of atoms in the first coordination spheres may change between two frames. Prior to this fix this would have resulted in a segmentation fault. I have added a regression test to ensure that this bug is not introduced again.
added 2 commits
August 10, 2026 16:57
…ror code from hack-the-tree
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Description
In essence, if the number of kernels you are adding to your histogram can change between frames then this causes problems in versions of PLUMED that do not have this fix. Making this change resolves the problem.
Target release
I would like my code to appear in release 2.11
Type of contribution
Copyright
COPYRIGHTfile with the correct license information. Code should be released under an open source license. I also used the commandcd src && ./header.sh mymodulenamein order to make sure the headers of the module are correct.Tests