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Clean up unused Polynomial Cutoff Class from ZBLBasis, remove r_max argument. #569

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merged 4 commits into from
Dec 19, 2024

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Removes misleading argument from the ZBLBasis class. Small changes to pre-compute radii ratios and use torch.pow in same file. Adds tests for both the ZBLBasis and Agnesi Transform.

@CompRhys CompRhys changed the title Clean up unused Polynomial Cutoff Class from ZBLBasis, remove r_max arguement. Clean up unused Polynomial Cutoff Class from ZBLBasis, remove r_max argument. Aug 26, 2024
@CompRhys CompRhys changed the base branch from main to develop September 30, 2024 19:28
@ilyes319 ilyes319 merged commit 8c5a80b into ACEsuit:develop Dec 19, 2024
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@CompRhys CompRhys deleted the cleanup-zbl branch January 8, 2025 21:50
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2 participants