numba accelerated findDuplicateVectors #596
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Hello @saransh13! Thanks for updating this PR. We checked the lines you've touched for PEP 8 issues, and found:
Comment last updated at 2024-01-09 01:36:41 UTC |
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Signed-off-by: Patrick Avery <patrick.avery@kitware.com>
Too many numba threads are causing allocator contention. Therefore we can limit the number of numba threads to 8. Signed-off-by: Patrick Avery <patrick.avery@kitware.com>
psavery
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Jan 8, 2024
It's not in parallel anymore, so we don't need it. Signed-off-by: Patrick Avery <patrick.avery@kitware.com>
Instead of computing the structure factor every time a property of the material changes, flag the structure factor as invalid, and only re-compute it if it is requested. This significantly speeds up interaction with the lattice parameter, such as with the PT sliders. Signed-off-by: Patrick Avery <patrick.avery@kitware.com>
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Fixes issue #595. The function is ~5-10x faster (after the first compile overhead).