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Vectorize BadELF #606
Vectorize BadELF #606
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Sounds good. We can do another release whenever you're ready. I'll be making the v0.16.0 release tomorrow some time (I got caught up in some other things today) |
also FYI -- the CI failing isn't your fault. Black received an update last night that I will fix tomorrow morning: #607 |
For voxels split by planes, sites are found for each vertex of the voxel. Previously, sites were assigned even if the vertex sat on a plane. This caused some vertices to be assigned to multiple sites and caused an error.
Remove plane splitting assignment
@jacksund As a heads up this is almost ready. I'll be testing some things a bit more tomorrow. Assuming all goes well I'll mark it ready for review. |
With the new numpy based badelf, I haven't implemented a core selection. This only effects the Dask arrays that are used for larger voxel grids. I can probably add the parameter back in if it appears to be important.
With the new numpy based badelf, I haven't implemented a core selection. This only effects the Dask arrays that are used for larger voxel grids. I can probably add the parameter back in if it appears to be important.
I'm not not sure what you just did with the commits haha. Normally you "rebase" (there is/was a button for it on this PR), but you somehow managed to duplicate all of the commits on main instead. If the branch is all out of wack, I may just move your badelf changes into a new MR. Let me know if/when you'd need help with this |
Lol I tried rebasing in gitkraken and probably messed something up somewhere in the process. I'm making one more commit to suppress warnings within context and then I'm done on my end. I've also run into a few issues after the rebase with running workflows. Not sure if those are caused by the improper rebase or something else, but I'll send info about them once I'm done with working out the warnings. |
Everything is working smoothly on my end. I think the tests are still failing because of black. @jacksund I can look into it tomorrow if you don't have a quick fix. |
@SWeav02 you have a branch called |
@@ -56,6 +56,7 @@ def add(app_name: str): | |||
if app_name == "badelf": | |||
settings.add_apps_and_update( | |||
[ | |||
"simmate.apps.configs.BadelfConfig", |
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thanks for catching my typo 😄
@jacksund No I'm currently messing around with stuff on that branch and it won't be ready for a bit. It's mostly testing some things for a new project. |
sounds good 👍 I'll merge this once the CI finishes |
This pull request aims to vectorize the various components of the BadELF algorithm. This can result in speedups of a couple orders of magnitude. This pull request will include the following: