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Faster implementation of the get_disp function #54

Merged
merged 1 commit into from
Jan 5, 2024
Merged

Faster implementation of the get_disp function #54

merged 1 commit into from
Jan 5, 2024

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jd15489
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@jd15489 jd15489 commented Dec 8, 2023

Numpy's Einsum function is used to replace a slow for loop in the get_disp function. This loop applies the periodic boundary conditions to each frame of the displacements. The Einsum used is equivalent but gives a >10x speedup.

@arm61 arm61 merged commit ff0c536 into bjmorgan:master Jan 5, 2024
@jd15489 jd15489 deleted the einsum branch January 8, 2024 17:17
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