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Fix regressions in auto-exclusions #4654

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merged 2 commits into from
Jan 19, 2023
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@jngrad jngrad commented Jan 18, 2023

Fixes #4652
Fixes #4650

Description of changes:

  • the feature now works in parallel and with non-contiguous particle ids
  • the feature no longer adds spurious exclusions to particle ids in the range [1, distance]
  • completely rewrite the test case to check all topologies and regular decompositions

The bond length is no longer misinterpreted as a bond id
(fixes bug introduced by a48ed7c).
The auto-exclusions feature now works in parallel again
(fixes bug introduced by 5add7f8).
@jngrad jngrad added the automerge Merge with kodiak label Jan 19, 2023
@kodiakhq kodiakhq bot merged commit 7c003a3 into espressomd:python Jan 19, 2023
@jngrad jngrad deleted the fix-4652 branch January 19, 2023 15:31
jngrad pushed a commit to jngrad/espresso that referenced this pull request Jan 19, 2023
The bond length is no longer misinterpreted as a bond id
(fixes bug introduced by a48ed7c).

Fixes espressomd#4652

Description of changes:
- the feature now works with non-contiguous particle ids
- the feature no longer adds spurious exclusions to particle ids in the range `[1, distance]`
- completely rewrite the test case to check all topologies and regular decompositions
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Auto exclusions are broken Auto exclusions has a regression in 4.3-dev
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