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Add DEXP long range correction #98

Merged
merged 1 commit into from
Feb 19, 2024
Merged

Add DEXP long range correction #98

merged 1 commit into from
Feb 19, 2024

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SimonBoothroyd
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Description

This PR adds the long range correction for the DEXP potential. It also removes the vendored code used to compute the LJ LRC, resulting in a ~5x speedup thanks to the new vectorised code.

Status

  • Ready to go

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codecov bot commented Feb 19, 2024

Codecov Report

Merging #98 (d5d1764) into main (9da8823) will increase coverage by 0.02%.
The diff coverage is 98.80%.

Additional details and impacted files

@SimonBoothroyd SimonBoothroyd merged commit a0eb03f into main Feb 19, 2024
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@SimonBoothroyd SimonBoothroyd deleted the dexp-lrc branch February 19, 2024 15:26
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