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Update topology/system particle bookkeeping in OpenMM

Open mattwthompson opened this issue 1 year ago • 2 comments

Description

Resolves #1049

Checklist

  • [x] Add tests
    • [x] Reproduce issue #1049
    • [x] Test topology indexing and without collating
  • [x] Lint
  • [x] Update documentation
    • [x] Update docstrings
    • [x] Add section to user guide on user expectations

mattwthompson avatar Sep 17 '24 20:09 mattwthompson

Codecov Report

Attention: Patch coverage is 95.23810% with 1 line in your changes missing coverage. Please review.

Project coverage is 93.59%. Comparing base (69b8955) to head (4ed0ac3). Report is 48 commits behind head on develop.

Additional details and impacted files

codecov[bot] avatar Sep 17 '24 20:09 codecov[bot]

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