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92 leaflet sorter 3 fails when lipids split across pb #93

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JesseSandberg
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@JesseSandberg JesseSandberg commented Nov 14, 2024

Description

When local_midplane2 is run (leaflet_sorter_3), it has trouble at the borders of the box because it doesn't use pbwithin. Now it does use pbwithin and we no longer get intermittent errors when leaflet sorting.

Usage Changes

None

Todos

Notable points that this PR has either accomplished or will accomplish.

  • Switch leaflet_sorter_3 (local_midplane2) to use pbwithin instead of a radial distance that doesn't see PBCs

Pre-Review checklist (PR maker)

  • Run this on test system and ensure that errors do not persist
  • Run this on test system and ensure that performance is not worse

Review checklist (Reviewer)

  • I understand what the changes are doing and how
  • I understand the motivation for this PR (the PR itself is appropriately documented)

Status

  • Ready for review

@JesseSandberg JesseSandberg added the bug Something isn't working label Nov 14, 2024
@JesseSandberg JesseSandberg self-assigned this Nov 14, 2024
@JesseSandberg JesseSandberg linked an issue Nov 14, 2024 that may be closed by this pull request
@JesseSandberg JesseSandberg changed the title 92 leaflet sorting fails when lipids split across pb 92 leaflet sorter 3 fails when lipids split across pb Nov 14, 2024
@gbrannigan gbrannigan merged commit 8a9d456 into master Nov 14, 2024
@gbrannigan gbrannigan deleted the 92-leaflet-sorting-fails-when-lipids-split-across-pb branch November 14, 2024 18:36
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leaflet sorting fails when lipids split across PB
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