fix: sort XYZ files in natural numerical order when reading directory - #1
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avnoordenne wants to merge 1 commit into
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fix: sort XYZ files in natural numerical order when reading directory#1avnoordenne wants to merge 1 commit into
avnoordenne wants to merge 1 commit into
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glob returns files in OS-dependent order, causing mol_2.xyz to sometimes be read after mol_10.xyz. Add natural sort by default so files are read in the expected numerical sequence, with an optional `sort` parameter to disable or customize this behavior.
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Thanks @avnoordenne! This repo is a read-only mirror of the source repo (niklashoelter/gpuma), so the fix needs to land there to survive the next mirror sync. I've migrated your change to the source repo with your authorship preserved, and it's now merged into Closing this one in favour of that — it'll flow back here on the next mirror update. |
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glob returns files in OS-dependent order, causing mol_2.xyz to sometimes be read after mol_10.xyz. Add natural sort by default so files are read in the expected numerical sequence, with an optional
sortparameter to disable or customize this behavior.