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Bump nvalchemiops==0.3.0#157

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vsimkus merged 2 commits intomainfrom
bump-nvalchemiops
Mar 18, 2026
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Bump nvalchemiops==0.3.0#157
vsimkus merged 2 commits intomainfrom
bump-nvalchemiops

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@vsimkus vsimkus commented Mar 17, 2026

Bumps nvalchemiops.

Also fixes #156 by changing the default multiprocessing method to spawn.

@vsimkus vsimkus marked this pull request as draft March 17, 2026 20:58
@vsimkus vsimkus changed the title Bump nvalchemiops Bump nvalchemiops==0.3.0 Mar 18, 2026
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Nice. I suppose we're going to wait until internal testing is complete before merging?

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vsimkus commented Mar 18, 2026

Yes, just want to make sure the benchmarks are similar since they changed some default settings in the neighbor list computation.

@vsimkus vsimkus force-pushed the bump-nvalchemiops branch from bd6136b to dcce9f9 Compare March 18, 2026 15:24
@vsimkus vsimkus marked this pull request as ready for review March 18, 2026 15:54
@vsimkus vsimkus merged commit a5f1a38 into main Mar 18, 2026
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Warp CUDA error 3

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